A0A077Z0W4_TRITR Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A077Z0W4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 225 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.8Very low56.7Low241 Ų24193.5 Ų93.5100%1.18754%0.542SS*.  0104.30-62.3-173.896.200107.6G3M1-G3 PolarHBondContact O-N 2.71Å; M1-G3 VanDerWaalsContact O-N 3.1Å
2S33.1Very low59Low99 Ų9991.1 Ų91.169%0.69253%0.53SS*.  trans-80.389.8-179.3-390000108.2H4S2-H4 VanDerWaalsContact C-N 3.28Å; S2-H4 PolarHBondContact O-CD2 2.92Å; S2-H4 PolarHBondContact O-N 3.47Å
3G30.4Very low60.8Low76 Ų7690.3 Ų90.378%0.78452%0.516SS*.  trans-66.988.217500000109.7M1 S5M1-G3 PolarHBondContact O-N 2.71Å; M1-G3 VanDerWaalsContact O-N 3.1Å; G3-S5 VanDerWaalsContact C-N 3.29Å; G3-S5 PolarHBondContact O-N 2.97Å
4H34.4Very low62.1Low162 Ų16290.1 Ų90.175%0.7552%0.522SS*.  trans-69.890.2172-65.8-71.2000108.2S2 L6S2-H4 VanDerWaalsContact C-N 3.28Å; S2-H4 PolarHBondContact O-CD2 2.92Å; S2-H4 PolarHBondContact O-N 3.47Å; H4-L6 VanDerWaalsContact C-N 3.32Å; H4-L6 PolarHBondContact O-N 3.15Å
5S38.7Very low63.3Low111 Ų11186.7 Ų86.778%0.77650%0.501SS*.  trans-69.894.3166.6-173.80000107.4G3 K7G3-S5 VanDerWaalsContact C-N 3.29Å; G3-S5 PolarHBondContact O-N 2.97Å; S5-K7 PolarHBondContact O-N 3.12Å
6L52.2Low64.5Low118 Ų11889.4 Ų89.462%0.61853%0.526SS*.  trans-63.5106171.3-74166.6000107.2H4 L8H4-L6 VanDerWaalsContact C-N 3.32Å; H4-L6 PolarHBondContact O-N 3.15Å; L6-L8 PolarHBondContact O-N 3.32Å; L6-L8 VanDerWaalsContact O-N 3.16Å
7K65.4Low65.6Low100 Ų10091.8 Ų91.844%0.43554%0.536SS..  trans-61.6118.7168.7-80.9-169174.2-172.20107.7S5 C27S5-K7 PolarHBondContact O-N 3.12Å; K7-C27 HydrophobicContact CB-CB 3.97Å; K7-C27 PolarHBondContact O-SG 2.99Å; K7-C27 VanDerWaalsContact O-SG 3.37Å
8L79Confident66.3Low92 Ų9289.9 Ų89.948%0.48254%0.539SS..  trans-78.6141.3176-62.5173.8000109.6L6 V10 Q25 C27L6-L8 PolarHBondContact O-N 3.32Å; L6-L8 VanDerWaalsContact O-N 3.16Å; L8-V10 VanDerWaalsContact C-N 3.31Å; L8-Q25 VanDerWaalsContact O-CG 3.28Å; L8-Q25 WeakPolarHBondContact O-CG 3.44Å; L8-Q25 PolarHBondContact O-NE2 3.2Å; L8-C27 PolarHBondContact O-SG 3.4Å
9W86.1Confident67Low1 Ų191.4 Ų91.40%0.00454%0.54CS..SBendtrans-74.2-27.1173.2-64.6110.6000112.3F24 Q25 C27 L41 L45 V61 H81 E84 I85W9-F24 CarbonylContact O-C 3.18Å; W9-F24 WeakPolarHBondContact O-CA 3.28Å; W9-Q25 PolarHBondContact O-N 3.23Å; W9-C27 HydrophobicContact CD2-CB 4.16Å; W9-C27 HydrophobicContact CE3-CB 3.92Å; W9-C27 HydrophobicContact CH2-CB 3.85Å; W9-C27 HydrophobicContact CZ2-CB 4.09Å; W9-C27 HydrophobicContact CZ3-CB 3.75Å; W9-L41 HydrophobicContact CE3-CD2 4.17Å; W9-L45 HydrophobicContact CH2-CD1 4.2Å; W9-L45 HydrophobicContact CH2-CD2 3.86Å; W9-L45 HydrophobicContact CZ3-CD1 4.11Å; W9-L45 HydrophobicContact CZ3-CD2 3.78Å; W9-L45 HydrophobicContact CZ3-CG 4.44Å; W9-V61 HydrophobicContact CH2-CG1 4.31Å; W9-V61 HydrophobicContact CH2-CG2 3.64Å; W9-V61 HydrophobicContact CZ2-CG1 3.91Å; W9-V61 HydrophobicContact CZ2-CG2 3.85Å; W9-H81 HydrophobicContact CH2-CB 4.48Å; W9-H81 HydrophobicContact CZ2-CB 4Å; W9-H81 AromaticContact CZ2-CG 3.86Å; W9-H81 AromaticContact CZ2-ND1 3.68Å; W9-E84 PolarHBondContact NE1-OE2 3.32Å; W9-I85 HydrophobicContact CB-CB 4.46Å; W9-I85 HydrophobicContact CB-CG1 3.63Å; W9-I85 HydrophobicContact CD2-CD1 4.4Å; W9-I85 HydrophobicContact CD2-CG1 3.93Å; W9-I85 HydrophobicContact CE3-CD1 4.34Å; W9-I85 HydrophobicContact CE3-CG1 4.26Å; W9-I85 HydrophobicContact CG-CG1 3.65Å
10V88.1Confident67.7Low2 Ų292.4 Ų92.41%0.01254%0.539CS..EExtended strand (participates in β ladder)trans-123.4130.4-176.3-165.70000109.2L8 L22 C23 F24 I85 Q88 F89 L92L8-V10 VanDerWaalsContact C-N 3.31Å; V10-L22 HydrophobicContact CG1-CD2 4Å; V10-C23 WeakPolarHBondContact CA-O 3.49Å; V10-C23 WeakPolarHBondContact CG1-O 3.42Å; V10-F24 HydrophobicContact CG1-CE1 4.47Å; V10-F24 HydrophobicContact CG2-CD1 3.96Å; V10-F24 HydrophobicContact CG2-CE1 4.08Å; V10-I85 HydrophobicContact CG2-CG2 4.28Å; V10-Q88 HydrophobicContact CB-CB 4.16Å; V10-Q88 HydrophobicContact CG2-CB 3.81Å; V10-F89 HydrophobicContact CG1-CB 4.44Å; V10-F89 HydrophobicContact CG1-CD2 4.36Å; V10-F89 HydrophobicContact CG2-CB 4.09Å; V10-L92 HydrophobicContact CB-CD2 4.46Å; V10-L92 HydrophobicContact CG1-CD2 4.03Å
11A86.8Confident68.4Low27 Ų2790.8 Ų90.822%0.22353%0.528CS..EExtended strand (participates in β ladder)trans-132.6167.6177.500000110.7L22 C23A11-L22 WeakPolarHBondContact O-CA 3.42Å; A11-C23 PolarHBondContact N-O 3.23Å; A11-C23 PolarHBondContact O-N 3.28Å; A11-C23 PolarHBondContact O-SG 3.21Å
12T84.5Confident71.1Confident64 Ų6481 Ų8139%0.39348%0.48SS..EExtended strand (participates in β ladder)trans-107.4145.4172.1550000110.8L21 L22 L92 I96T12-L21 CarbonylContact C-O 3.54Å; T12-L21 VanDerWaalsContact CA-O 3.25Å; T12-L21 WeakPolarHBondContact CA-O 3.48Å; T12-L22 HydrophobicContact CG2-CD2 4.06Å; T12-L92 HydrophobicContact CG2-CD1 4.22Å; T12-L92 HydrophobicContact CG2-CD2 3.85Å; T12-L92 HydrophobicContact CG2-CG 4.02Å; T12-I96 HydrophobicContact CG2-CD1 3.46Å; T12-I96 VanDerWaalsContact CG2-CD1 3.46Å; T12-I96 HydrophobicContact CG2-CG1 4.1Å
13F81.9Confident73.8Confident81 Ų8177 Ų7736%0.35545%0.452SS..EExtended strand (participates in β ladder)trans-136153.4164.467.7-80.3000109.6L21 C23 L36F13-L21 HydrophobicContact CD1-CB 4.22Å; F13-L21 HydrophobicContact CE1-CB 3.62Å; F13-L21 HydrophobicContact CE2-CB 4.02Å; F13-L21 HydrophobicContact CE2-CD1 3.84Å; F13-L21 HydrophobicContact CE2-CG 4.45Å; F13-L21 HydrophobicContact CZ-CB 3.51Å; F13-L21 HydrophobicContact CZ-CD1 3.67Å; F13-L21 HydrophobicContact CZ-CG 4.22Å; F13-L21 PolarHBondContact N-O 3.41Å; F13-L21 PolarHBondContact O-N 3.22Å; F13-C23 HydrophobicContact CD1-CB 3.85Å; F13-C23 HydrophobicContact CE1-CB 3.78Å; F13-L36 HydrophobicContact CE1-CD2 3.54Å; F13-L36 HydrophobicContact CZ-CD2 3.59Å
14C79.2Confident76.8Confident88 Ų8873.7 Ų73.760%0.59542%0.416SS*.EExtended strand (participates in β ladder)trans-87.6129.4173.7-62.30000108.9Q19C14-Q19 WeakPolarHBondContact CA-O 3.47Å
15N79.4Confident79.5Confident38 Ų3869.2 Ų69.220%0.20340%0.396CS..  trans-76.9177.916876.8-8000110.9D17 G18 Q19 L21N15-D17 PolarHBondContact O-N 3.02Å; N15-D17 WeakPolarHBondContact OD1-CA 3.35Å; N15-D17 PolarHBondContact OD1-N 3.25Å; N15-G18 PolarHBondContact O-N 2.95Å; N15-G18 PolarHBondContact OD1-N 3.22Å; N15-G18 VanDerWaalsContact OD1-N 3.14Å; N15-Q19 PolarHBondContact N-O 3.43Å; N15-Q19 WeakPolarHBondContact OD1-CA 3.27Å; N15-Q19 WeakPolarHBondContact OD1-CB 3.49Å; N15-Q19 PolarHBondContact OD1-N 2.8Å; N15-Q19 PolarHBondContact OD1-O 3.33Å; N15-L21 HydrophobicContact CB-CD1 3.78Å; N15-L21 HydrophobicContact CB-CG 4.29Å
16S82.7Confident82Confident130 Ų13064.3 Ų64.391%0.90936%0.361SS*.THydrogen-bonded Turntrans-57-29.2177.9-41.30000113.6G18S16-G18 VanDerWaalsContact C-N 3.27Å; S16-G18 PolarHBondContact O-N 3.23Å
17D83.2Confident83.6Confident131 Ų13158.7 Ų58.770%0.70133%0.332SS*.THydrogen-bonded Turntrans-86.55.8-179.8-52.8-46.6000112.8N15 Q19N15-D17 PolarHBondContact O-N 3.02Å; N15-D17 WeakPolarHBondContact OD1-CA 3.35Å; N15-D17 PolarHBondContact OD1-N 3.25Å; D17-Q19 HydrophobicContact CB-CG 4.32Å; D17-Q19 PolarHBondContact O-N 3.27Å
18G79.2Confident84.8Confident57 Ų5754.4 Ų54.459%0.58831%0.314SS*.SBendtrans73.66-177.300000114.5N15 S16N15-G18 PolarHBondContact O-N 2.95Å; N15-G18 PolarHBondContact OD1-N 3.22Å; N15-G18 VanDerWaalsContact OD1-N 3.14Å; S16-G18 VanDerWaalsContact C-N 3.27Å; S16-G18 PolarHBondContact O-N 3.23Å
19Q78.6Confident85Confident119 Ų11958.2 Ų58.256%0.55632%0.321SS*.  trans-75.5134.2175.1-59.8-176.9-17.200110.3C14 N15 D17 L21C14-Q19 WeakPolarHBondContact CA-O 3.47Å; N15-Q19 PolarHBondContact N-O 3.43Å; N15-Q19 WeakPolarHBondContact OD1-CA 3.27Å; N15-Q19 WeakPolarHBondContact OD1-CB 3.49Å; N15-Q19 PolarHBondContact OD1-N 2.8Å; N15-Q19 PolarHBondContact OD1-O 3.33Å; D17-Q19 HydrophobicContact CB-CG 4.32Å; D17-Q19 PolarHBondContact O-N 3.27Å; Q19-L21 PolarHBondContact O-N 3.36Å
20Q80.6Confident85.1Confident111 Ų11165.5 Ų65.552%0.51936%0.36SS..EExtended strand (participates in β ladder)trans-76.7115.1172.1-70.3-173.81.500109.8I96Q20-I96 HydrophobicContact CB-CG2 4.32Å
21L82.8Confident85.2Confident59 Ų5966.7 Ų66.731%0.30937%0.369SS..EExtended strand (participates in β ladder)trans-103.7149.8173.6-63.8-179.1000110.2T12 F13 N15 Q19T12-L21 CarbonylContact C-O 3.54Å; T12-L21 VanDerWaalsContact CA-O 3.25Å; T12-L21 WeakPolarHBondContact CA-O 3.48Å; F13-L21 HydrophobicContact CD1-CB 4.22Å; F13-L21 HydrophobicContact CE1-CB 3.62Å; F13-L21 HydrophobicContact CE2-CB 4.02Å; F13-L21 HydrophobicContact CE2-CD1 3.84Å; F13-L21 HydrophobicContact CE2-CG 4.45Å; F13-L21 HydrophobicContact CZ-CB 3.51Å; F13-L21 HydrophobicContact CZ-CD1 3.67Å; F13-L21 HydrophobicContact CZ-CG 4.22Å; F13-L21 PolarHBondContact N-O 3.41Å; F13-L21 PolarHBondContact O-N 3.22Å; N15-L21 HydrophobicContact CB-CD1 3.78Å; N15-L21 HydrophobicContact CB-CG 4.29Å; Q19-L21 PolarHBondContact O-N 3.36Å
22L87Confident85.5Confident34 Ų3468.9 Ų68.918%0.17839%0.394CS..EExtended strand (participates in β ladder)trans-93134.8174.7-70.4162.3000109.7V10 A11 T12 F89 L92 R93 I96V10-L22 HydrophobicContact CG1-CD2 4Å; A11-L22 WeakPolarHBondContact O-CA 3.42Å; T12-L22 HydrophobicContact CG2-CD2 4.06Å; L22-F89 HydrophobicContact CB-CE2 4.33Å; L22-F89 HydrophobicContact CD1-CD2 3.88Å; L22-F89 HydrophobicContact CD1-CE2 3.58Å; L22-F89 HydrophobicContact CD1-CZ 4.48Å; L22-L92 HydrophobicContact CD2-CB 4.11Å; L22-L92 HydrophobicContact CD2-CD2 3.46Å; L22-L92 VanDerWaalsContact CD2-CD2 3.46Å; L22-L92 HydrophobicContact CD2-CG 3.67Å; L22-R93 HydrophobicContact CD1-CG 3.32Å; L22-I96 HydrophobicContact CD1-CD1 4.42Å; L22-I96 HydrophobicContact CD2-CD1 3.68Å; L22-I96 HydrophobicContact CG-CD1 4.03Å
23C90.6Very high85.9Confident15 Ų1569.1 Ų69.110%0.10139%0.39CS..EExtended strand (participates in β ladder)trans-121.6150.1170.863.70000111.3V10 A11 F13 L36V10-C23 WeakPolarHBondContact CA-O 3.49Å; V10-C23 WeakPolarHBondContact CG1-O 3.42Å; A11-C23 PolarHBondContact N-O 3.23Å; A11-C23 PolarHBondContact O-N 3.28Å; A11-C23 PolarHBondContact O-SG 3.21Å; F13-C23 HydrophobicContact CD1-CB 3.85Å; F13-C23 HydrophobicContact CE1-CB 3.78Å; C23-L36 HydrophobicContact CB-CD2 4.33Å
24F92.1Very high86.5Confident8 Ų873.1 Ų73.14%0.03540%0.404CS..EExtended strand (participates in β ladder)trans-107.9118.6176.9-60.8-82.8000108.2W9 V10 Y34 S35 L36 K38 L41 I85 F89W9-F24 CarbonylContact O-C 3.18Å; W9-F24 WeakPolarHBondContact O-CA 3.28Å; V10-F24 HydrophobicContact CG1-CE1 4.47Å; V10-F24 HydrophobicContact CG2-CD1 3.96Å; V10-F24 HydrophobicContact CG2-CE1 4.08Å; F24-Y34 CarbonylContact O-C 3.59Å; F24-Y34 WeakPolarHBondContact O-CA 3.46Å; F24-S35 WeakPolarHBondContact CB-O 3.47Å; F24-S35 PolarHBondContact N-O 3.44Å; F24-S35 PolarHBondContact O-N 2.88Å; F24-L36 WeakPolarHBondContact CE2-O 2.89Å; F24-K38 HydrophobicContact CD1-CB 4.25Å; F24-K38 HydrophobicContact CD1-CG 4.31Å; F24-K38 HydrophobicContact CD2-CB 4.4Å; F24-K38 HydrophobicContact CE1-CB 3.83Å; F24-K38 HydrophobicContact CE1-CD 4.33Å; F24-K38 HydrophobicContact CE1-CG 3.93Å; F24-K38 HydrophobicContact CE2-CB 4Å; F24-K38 HydrophobicContact CZ-CB 3.68Å; F24-K38 HydrophobicContact CZ-CG 4.28Å; F24-L41 HydrophobicContact CB-CB 3.97Å; F24-L41 HydrophobicContact CB-CD2 3.7Å; F24-L41 HydrophobicContact CB-CG 4.4Å; F24-I85 HydrophobicContact CD1-CG2 3.66Å; F24-I85 HydrophobicContact CE1-CG2 3.82Å; F24-F89 HydrophobicContact CE1-CB 4.12Å; F24-F89 AromaticContact CE1-CD2 3.74Å; F24-F89 HydrophobicContact CE1-CD2 3.74Å; F24-F89 HydrophobicContact CE1-CE2 4.39Å; F24-F89 HydrophobicContact CE1-CG 4.11Å; F24-F89 HydrophobicContact CE2-CD2 4.46Å; F24-F89 HydrophobicContact CE2-CE2 4.38Å; F24-F89 AromaticContact CZ-CD2 3.4Å; F24-F89 HydrophobicContact CZ-CD2 3.4Å; F24-F89 AromaticContact CZ-CE2 3.6Å; F24-F89 HydrophobicContact CZ-CE2 3.6Å; F24-F89 HydrophobicContact CZ-CG 4.08Å; F24-F89 HydrophobicContact CZ-CZ 4.4Å
25Q91.5Very high87.2Confident68 Ų6869.4 Ų69.432%0.31838%0.379SS..EExtended strand (participates in β ladder)trans-120.6149.1-175.165.9-18017.100111.9L8 W9L8-Q25 VanDerWaalsContact O-CG 3.28Å; L8-Q25 WeakPolarHBondContact O-CG 3.44Å; L8-Q25 PolarHBondContact O-NE2 3.2Å; W9-Q25 PolarHBondContact O-N 3.23Å
26C91.6Very high87.7Confident7 Ų772.9 Ų72.95%0.04740%0.397CS..  trans-76.1128.3176.2-170.50000111.3C31 F33 L41 H44C26-C31 HydrophobicContact CB-CB 4.15Å; C26-C31 VanDerWaalsContact SG-SG 3.61Å; C26-F33 HydrophobicContact CB-CB 4.11Å; C26-F33 PolarHBondContact N-O 3.06Å; C26-L41 HydrophobicContact CB-CD1 4.24Å; C26-H44 PolarHBondContact SG-NE2 3.05Å; C26-H44 VanDerWaalsContact SG-NE2 3.38Å
27C86.6Confident88Confident1 Ų170.1 Ų70.11%0.00737%0.371CS..  trans-91.52.6178.2-61.10000114.1K7 L8 W9K7-C27 HydrophobicContact CB-CB 3.97Å; K7-C27 PolarHBondContact O-SG 2.99Å; K7-C27 VanDerWaalsContact O-SG 3.37Å; L8-C27 PolarHBondContact O-SG 3.4Å; W9-C27 HydrophobicContact CD2-CB 4.16Å; W9-C27 HydrophobicContact CE3-CB 3.92Å; W9-C27 HydrophobicContact CH2-CB 3.85Å; W9-C27 HydrophobicContact CZ2-CB 4.09Å; W9-C27 HydrophobicContact CZ3-CB 3.75Å
28I88.9Confident88.4Confident10 Ų1067 Ų675%0.05135%0.352CS..BIsolated β-bridgetrans-73.8145.5179.6-64.2166.1000109.5D30 C31 L45 H48 P60 V61I28-D30 PolarHBondContact O-N 2.97Å; I28-C31 HydrophobicContact CB-CB 4.25Å; I28-C31 PolarHBondContact O-N 3.23Å; I28-L45 HydrophobicContact CD1-CD2 3.71Å; I28-H48 HydrophobicContact CD1-CB 3.46Å; I28-H48 VanDerWaalsContact CD1-CB 3.46Å; I28-H48 WeakPolarHBondContact CD1-CD2 3.49Å; I28-P60 HydrophobicContact CD1-CB 3.96Å; I28-P60 HydrophobicContact CD1-CG 3.47Å; I28-P60 VanDerWaalsContact CD1-CG 3.47Å; I28-P60 HydrophobicContact CG1-CB 4.12Å; I28-P60 HydrophobicContact CG1-CG 4.05Å; I28-P60 HydrophobicContact CG2-CB 3.9Å; I28-V61 HydrophobicContact CD1-CG2 4.49Å; I28-V61 HydrophobicContact CG1-CG2 4.04Å
29R84.4Confident89Confident171 Ų17166.8 Ų66.865%0.64534%0.344SS*.THydrogen-bonded Turntrans-60.7138.6-178.2-164.117957.3-152.4-6.9109.8C31R29-C31 PolarHBondContact O-N 3Å
30D87.1Confident89.7Confident154 Ų15465.8 Ų65.882%0.82434%0.34SS*.THydrogen-bonded Turntrans60.415.4178.7-45.4-44000115I28I28-D30 PolarHBondContact O-N 2.97Å
31C91.7Very high90.3Very high28 Ų2860.5 Ų60.519%0.18932%0.315CS..  trans-101120.1173-167.40000111.1C26 I28 R29 H44 H48C26-C31 HydrophobicContact CB-CB 4.15Å; C26-C31 VanDerWaalsContact SG-SG 3.61Å; I28-C31 HydrophobicContact CB-CB 4.25Å; I28-C31 PolarHBondContact O-N 3.23Å; R29-C31 PolarHBondContact O-N 3Å; C31-H44 VanDerWaalsContact SG-CE1 3.52Å; C31-H44 PolarHBondContact SG-NE2 3.5Å; C31-H48 PolarHBondContact SG-NE2 2.55Å; C31-H48 VanDerWaalsContact SG-NE2 3.37Å
32G91.3Very high90.7Very high73 Ų7359 Ų5975%0.75331%0.306SS*.  trans-96.211.6176.700000114.7
33F94.2Very high91Very high68 Ų6861.9 Ų61.930%0.29832%0.319SS..  trans-69135.6-176.3-178.6-88.6000111.8C26 E40 L41 H44C26-F33 HydrophobicContact CB-CB 4.11Å; C26-F33 PolarHBondContact N-O 3.06Å; F33-E40 HydrophobicContact CZ-CB 4.47Å; F33-L41 HydrophobicContact CD1-CD1 4.05Å; F33-L41 HydrophobicContact CE1-CD1 4.23Å; F33-H44 WeakPolarHBondContact CB-CE1 3.35Å; F33-H44 WeakPolarHBondContact CB-NE2 3.23Å; F33-H44 HydrophobicContact CD1-CB 3.85Å; F33-H44 AromaticContact CD1-CD2 3.49Å; F33-H44 VanDerWaalsContact CD1-CD2 3.49Å; F33-H44 WeakPolarHBondContact CD1-CD2 3.2Å; F33-H44 AromaticContact CD1-CG 3.41Å; F33-H44 VanDerWaalsContact CD1-CG 3.41Å; F33-H44 AromaticContact CD1-ND1 3.81Å; F33-H44 AromaticContact CD1-NE2 3.93Å; F33-H44 AromaticContact CD2-CE1 3.93Å; F33-H44 AromaticContact CD2-CG 3.96Å; F33-H44 AromaticContact CD2-ND1 3.53Å; F33-H44 HydrophobicContact CE1-CB 3.62Å; F33-H44 AromaticContact CE1-CG 3.73Å; F33-H44 HydrophobicContact CE2-CB 4.29Å; F33-H44 HydrophobicContact CG-CB 4.3Å; F33-H44 AromaticContact CG-CD2 3.73Å; F33-H44 AromaticContact CG-CE1 3.51Å; F33-H44 AromaticContact CG-CG 3.54Å; F33-H44 AromaticContact CG-ND1 3.4Å; F33-H44 WeakPolarHBondContact CG-ND1 3.45Å; F33-H44 AromaticContact CG-NE2 3.71Å; F33-H44 HydrophobicContact CZ-CB 3.85Å
34Y93.4Very high91.2Very high166 Ų16662.4 Ų62.465%0.65132%0.32SS*.EExtended strand (participates in β ladder)trans-144.2157.9168.668.9-85.9000110.6F24F24-Y34 CarbonylContact O-C 3.59Å; F24-Y34 WeakPolarHBondContact O-CA 3.46Å
35S93.6Very high91.1Very high10 Ų1062.1 Ų62.17%0.0732%0.318CS..EExtended strand (participates in β ladder)trans-150158.2175.91740000110.8F24 N37 E40F24-S35 WeakPolarHBondContact CB-O 3.47Å; F24-S35 PolarHBondContact N-O 3.44Å; F24-S35 PolarHBondContact O-N 2.88Å; S35-N37 VanDerWaalsContact C-N 3.28Å; S35-N37 PolarHBondContact OG-N 3.25Å; S35-N37 PolarHBondContact OG-O 3.36Å; S35-E40 WeakPolarHBondContact CB-OE2 3.38Å; S35-E40 PolarHBondContact OG-OE2 3.27Å
36L90.2Very high91.1Very high111 Ų11163.6 Ų63.658%0.58132%0.321SS*.SBendtrans-83.9-7.7167.8-55.1-177.8000112.2F13 C23 F24F13-L36 HydrophobicContact CE1-CD2 3.54Å; F13-L36 HydrophobicContact CZ-CD2 3.59Å; C23-L36 HydrophobicContact CB-CD2 4.33Å; F24-L36 WeakPolarHBondContact CE2-O 2.89Å
37N90.5Very high91.1Very high71 Ų7170 Ų7038%0.3835%0.354SS..  trans-112.4121-176.6-176.5-8.6000110.9S35 A39 E40 L41S35-N37 VanDerWaalsContact C-N 3.28Å; S35-N37 PolarHBondContact OG-N 3.25Å; S35-N37 PolarHBondContact OG-O 3.36Å; N37-A39 VanDerWaalsContact C-N 3.26Å; N37-A39 PolarHBondContact O-N 3.09Å; N37-A39 WeakPolarHBondContact OD1-CB 3.4Å; N37-A39 PolarHBondContact OD1-N 3.49Å; N37-E40 HydrophobicContact CB-CB 4.26Å; N37-E40 HydrophobicContact CB-CG 4Å; N37-E40 WeakPolarHBondContact CB-OE1 3.14Å; N37-E40 PolarHBondContact ND2-OE1 3.46Å; N37-E40 VanDerWaalsContact ND2-OE1 3.07Å; N37-E40 PolarHBondContact O-N 2.93Å; N37-L41 PolarHBondContact O-N 3.31Å
38K90.3Very high91.3Very high65 Ų6572.1 Ų72.128%0.28336%0.364SS..Hα-helixtrans-58-37.2178.3-172.9178.966.9-1760112.9F24 E40 L41 F42 I85F24-K38 HydrophobicContact CD1-CB 4.25Å; F24-K38 HydrophobicContact CD1-CG 4.31Å; F24-K38 HydrophobicContact CD2-CB 4.4Å; F24-K38 HydrophobicContact CE1-CB 3.83Å; F24-K38 HydrophobicContact CE1-CD 4.33Å; F24-K38 HydrophobicContact CE1-CG 3.93Å; F24-K38 HydrophobicContact CE2-CB 4Å; F24-K38 HydrophobicContact CZ-CB 3.68Å; F24-K38 HydrophobicContact CZ-CG 4.28Å; K38-E40 VanDerWaalsContact C-N 3.34Å; K38-L41 PolarHBondContact O-N 2.86Å; K38-F42 PolarHBondContact O-N 3.32Å; K38-I85 HydrophobicContact CD-CG2 4.07Å; K38-I85 HydrophobicContact CG-CG2 3.82Å
39A91.2Very high91.3Very high53 Ų5375.3 Ų75.344%0.43838%0.375SS..Hα-helixtrans-66.8-38.1-177.900000111.4N37 F42 E43N37-A39 VanDerWaalsContact C-N 3.26Å; N37-A39 PolarHBondContact O-N 3.09Å; N37-A39 WeakPolarHBondContact OD1-CB 3.4Å; N37-A39 PolarHBondContact OD1-N 3.49Å; A39-F42 PolarHBondContact O-N 3.06Å; A39-F42 VanDerWaalsContact O-N 3.16Å; A39-E43 PolarHBondContact O-N 3.36Å
40E94.2Very high91.2Very high99 Ų9969.1 Ų69.146%0.46336%0.357SS..Hα-helixtrans-65-39.9177.5-72.1167.3-148.900112F33 S35 N37 K38 F42 E43 H44F33-E40 HydrophobicContact CZ-CB 4.47Å; S35-E40 WeakPolarHBondContact CB-OE2 3.38Å; S35-E40 PolarHBondContact OG-OE2 3.27Å; N37-E40 HydrophobicContact CB-CB 4.26Å; N37-E40 HydrophobicContact CB-CG 4Å; N37-E40 WeakPolarHBondContact CB-OE1 3.14Å; N37-E40 PolarHBondContact ND2-OE1 3.46Å; N37-E40 VanDerWaalsContact ND2-OE1 3.07Å; N37-E40 PolarHBondContact O-N 2.93Å; K38-E40 VanDerWaalsContact C-N 3.34Å; E40-F42 VanDerWaalsContact C-N 3.29Å; E40-F42 PolarHBondContact O-N 3.41Å; E40-E43 PolarHBondContact O-N 3.34Å; E40-H44 WeakPolarHBondContact O-CB 3.32Å; E40-H44 PolarHBondContact O-N 3.27Å
41L92.9Very high90.5Very high0 Ų068.7 Ų68.70%035%0.354CS..Hα-helixtrans-61.7-40.6173.1178.963.2000111.4W9 F24 C26 F33 N37 K38 H44 L45 I85W9-L41 HydrophobicContact CE3-CD2 4.17Å; F24-L41 HydrophobicContact CB-CB 3.97Å; F24-L41 HydrophobicContact CB-CD2 3.7Å; F24-L41 HydrophobicContact CB-CG 4.4Å; C26-L41 HydrophobicContact CB-CD1 4.24Å; F33-L41 HydrophobicContact CD1-CD1 4.05Å; F33-L41 HydrophobicContact CE1-CD1 4.23Å; N37-L41 PolarHBondContact O-N 3.31Å; K38-L41 PolarHBondContact O-N 2.86Å; L41-H44 WeakPolarHBondContact O-CB 3.39Å; L41-H44 PolarHBondContact O-N 3.33Å; L41-L45 WeakPolarHBondContact O-CG 3.46Å; L41-L45 PolarHBondContact O-N 3.47Å; L41-I85 HydrophobicContact CD2-CD1 3.62Å; L41-I85 HydrophobicContact CD2-CG1 4.03Å; L41-I85 HydrophobicContact CG-CD1 4.16Å
42F91.1Very high89.4Confident26 Ų2670.9 Ų70.911%0.11436%0.364CS..Hα-helixtrans-67.9-42.8-179.8-173.5-112.9000112.7K38 A39 E40 H44 L45 R46 L78 H82K38-F42 PolarHBondContact O-N 3.32Å; A39-F42 PolarHBondContact O-N 3.06Å; A39-F42 VanDerWaalsContact O-N 3.16Å; E40-F42 VanDerWaalsContact C-N 3.29Å; E40-F42 PolarHBondContact O-N 3.41Å; F42-H44 VanDerWaalsContact C-N 3.32Å; F42-L45 WeakPolarHBondContact O-CB 3.41Å; F42-L45 PolarHBondContact O-N 2.77Å; F42-R46 PolarHBondContact O-N 3.08Å; F42-L78 HydrophobicContact CE2-CB 4.07Å; F42-L78 WeakPolarHBondContact CE2-O 3.29Å; F42-L78 HydrophobicContact CZ-CB 4.47Å; F42-H82 HydrophobicContact CD2-CB 3.61Å; F42-H82 AromaticContact CD2-CG 3.94Å; F42-H82 HydrophobicContact CE2-CB 3.59Å; F42-H82 HydrophobicContact CG-CB 4.48Å; F42-H82 HydrophobicContact CZ-CB 4.42Å
43E93.2Very high88.2Confident96 Ų9675.9 Ų75.945%0.44937%0.373SS..Hα-helixtrans-64.3-39.3173.1-66.9-53136.900111.5A39 E40 L45 R46A39-E43 PolarHBondContact O-N 3.36Å; E40-E43 PolarHBondContact O-N 3.34Å; E43-L45 VanDerWaalsContact C-N 3.31Å; E43-L45 PolarHBondContact O-N 3.25Å; E43-R46 WeakPolarHBondContact O-CB 3.39Å; E43-R46 PolarHBondContact O-N 3.29Å; E43-R46 VanDerWaalsContact O-N 3.16Å; E43-R46 IonicContact OE1-CZ 3.46Å; E43-R46 IonicContact OE1-NH1 2.67Å; E43-R46 PolarHBondContact OE1-NH1 3.13Å; E43-R46 IonicContact OE1-NH2 3.09Å; E43-R46 WeakPolarHBondContact OE2-CD 3.34Å; E43-R46 IonicContact OE2-CZ 3.93Å; E43-R46 IonicContact OE2-NE 3Å; E43-R46 IonicContact OE2-NH1 3.92Å; E43-R46 PolarHBondContact OE2-NH1 3.35Å
44H94.6Very high87.2Confident26 Ų2678.4 Ų78.412%0.1239%0.385CS..Hα-helixtrans-58.3-41173.3170.177000112.5C26 C31 F33 E40 L41 F42 R46 L47 H48C26-H44 PolarHBondContact SG-NE2 3.05Å; C26-H44 VanDerWaalsContact SG-NE2 3.38Å; C31-H44 VanDerWaalsContact SG-CE1 3.52Å; C31-H44 PolarHBondContact SG-NE2 3.5Å; F33-H44 WeakPolarHBondContact CB-CE1 3.35Å; F33-H44 WeakPolarHBondContact CB-NE2 3.23Å; F33-H44 HydrophobicContact CD1-CB 3.85Å; F33-H44 AromaticContact CD1-CD2 3.49Å; F33-H44 VanDerWaalsContact CD1-CD2 3.49Å; F33-H44 WeakPolarHBondContact CD1-CD2 3.2Å; F33-H44 AromaticContact CD1-CG 3.41Å; F33-H44 VanDerWaalsContact CD1-CG 3.41Å; F33-H44 AromaticContact CD1-ND1 3.81Å; F33-H44 AromaticContact CD1-NE2 3.93Å; F33-H44 AromaticContact CD2-CE1 3.93Å; F33-H44 AromaticContact CD2-CG 3.96Å; F33-H44 AromaticContact CD2-ND1 3.53Å; F33-H44 HydrophobicContact CE1-CB 3.62Å; F33-H44 AromaticContact CE1-CG 3.73Å; F33-H44 HydrophobicContact CE2-CB 4.29Å; F33-H44 HydrophobicContact CG-CB 4.3Å; F33-H44 AromaticContact CG-CD2 3.73Å; F33-H44 AromaticContact CG-CE1 3.51Å; F33-H44 AromaticContact CG-CG 3.54Å; F33-H44 AromaticContact CG-ND1 3.4Å; F33-H44 WeakPolarHBondContact CG-ND1 3.45Å; F33-H44 AromaticContact CG-NE2 3.71Å; F33-H44 HydrophobicContact CZ-CB 3.85Å; E40-H44 WeakPolarHBondContact O-CB 3.32Å; E40-H44 PolarHBondContact O-N 3.27Å; L41-H44 WeakPolarHBondContact O-CB 3.39Å; L41-H44 PolarHBondContact O-N 3.33Å; F42-H44 VanDerWaalsContact C-N 3.32Å; H44-R46 PolarHBondContact O-N 3.39Å; H44-L47 VanDerWaalsContact O-CB 3.32Å; H44-L47 WeakPolarHBondContact O-CB 3.44Å; H44-L47 PolarHBondContact O-N 3.45Å; H44-H48 AromaticContact CD2-CD2 3.99Å; H44-H48 AromaticContact CD2-NE2 3.86Å; H44-H48 AromaticContact CE1-CD2 3.96Å; H44-H48 AromaticContact CE1-NE2 3.36Å; H44-H48 PolarHBondContact CE1-NE2 3.33Å; H44-H48 AromaticContact NE2-CD2 3.47Å; H44-H48 PolarHBondContact NE2-CD2 3.21Å; H44-H48 AromaticContact NE2-NE2 2.9Å; H44-H48 PolarHBondContact NE2-NE2 3Å
45L91.5Very high86.2Confident1 Ų173.9 Ų73.91%0.00538%0.382CS..Hα-helixtrans-60.6-31.6178.1-76.5176.3000113.2W9 I28 L41 F42 E43 L47 H48 L78 H81 I85W9-L45 HydrophobicContact CH2-CD1 4.2Å; W9-L45 HydrophobicContact CH2-CD2 3.86Å; W9-L45 HydrophobicContact CZ3-CD1 4.11Å; W9-L45 HydrophobicContact CZ3-CD2 3.78Å; W9-L45 HydrophobicContact CZ3-CG 4.44Å; I28-L45 HydrophobicContact CD1-CD2 3.71Å; L41-L45 WeakPolarHBondContact O-CG 3.46Å; L41-L45 PolarHBondContact O-N 3.47Å; F42-L45 WeakPolarHBondContact O-CB 3.41Å; F42-L45 PolarHBondContact O-N 2.77Å; E43-L45 VanDerWaalsContact C-N 3.31Å; E43-L45 PolarHBondContact O-N 3.25Å; L45-L47 PolarHBondContact O-N 2.6Å; L45-H48 PolarHBondContact O-N 3.41Å; L45-L78 HydrophobicContact CB-CD1 4.48Å; L45-H81 HydrophobicContact CD1-CB 4.22Å; L45-I85 HydrophobicContact CD1-CD1 4.04Å
46R91.1Very high85.7Confident99 Ų9977.6 Ų77.637%0.37440%0.395SS..Hα-helixtrans-65-26.8176-64.7177.7170.7164.1-2.3112.6F42 E43 H44 H48 R49 F75 L78F42-R46 PolarHBondContact O-N 3.08Å; E43-R46 WeakPolarHBondContact O-CB 3.39Å; E43-R46 PolarHBondContact O-N 3.29Å; E43-R46 VanDerWaalsContact O-N 3.16Å; E43-R46 IonicContact OE1-CZ 3.46Å; E43-R46 IonicContact OE1-NH1 2.67Å; E43-R46 PolarHBondContact OE1-NH1 3.13Å; E43-R46 IonicContact OE1-NH2 3.09Å; E43-R46 WeakPolarHBondContact OE2-CD 3.34Å; E43-R46 IonicContact OE2-CZ 3.93Å; E43-R46 IonicContact OE2-NE 3Å; E43-R46 IonicContact OE2-NH1 3.92Å; E43-R46 PolarHBondContact OE2-NH1 3.35Å; H44-R46 PolarHBondContact O-N 3.39Å; R46-H48 PolarHBondContact O-N 3.4Å; R46-R49 WeakPolarHBondContact O-CB 3.43Å; R46-R49 PolarHBondContact O-N 3.14Å; R46-F75 HydrophobicContact CB-CE1 3.95Å; R46-F75 HydrophobicContact CG-CD1 4.15Å; R46-F75 HydrophobicContact CG-CE1 3.93Å; R46-L78 HydrophobicContact CB-CD1 4.47Å; R46-L78 HydrophobicContact CG-CD1 3.94Å
47L91.8Very high85.4Confident143 Ų14372.4 Ų72.475%0.74937%0.368SS*.Hα-helixtrans-73.8-17.1177.9-56.8177.5000112.9H44 L45 R49H44-L47 VanDerWaalsContact O-CB 3.32Å; H44-L47 WeakPolarHBondContact O-CB 3.44Å; H44-L47 PolarHBondContact O-N 3.45Å; L45-L47 PolarHBondContact O-N 2.6Å; L47-R49 PolarHBondContact O-N 3.41Å
48H91.2Very high85.2Confident45 Ų4575.4 Ų75.421%0.20837%0.374CS..THydrogen-bonded Turntrans-83.212.5173.1-72.6-84.3000113.5I28 C31 H44 L45 R46 P50 P60I28-H48 HydrophobicContact CD1-CB 3.46Å; I28-H48 VanDerWaalsContact CD1-CB 3.46Å; I28-H48 WeakPolarHBondContact CD1-CD2 3.49Å; C31-H48 PolarHBondContact SG-NE2 2.55Å; C31-H48 VanDerWaalsContact SG-NE2 3.37Å; H44-H48 AromaticContact CD2-CD2 3.99Å; H44-H48 AromaticContact CD2-NE2 3.86Å; H44-H48 AromaticContact CE1-CD2 3.96Å; H44-H48 AromaticContact CE1-NE2 3.36Å; H44-H48 PolarHBondContact CE1-NE2 3.33Å; H44-H48 AromaticContact NE2-CD2 3.47Å; H44-H48 PolarHBondContact NE2-CD2 3.21Å; H44-H48 AromaticContact NE2-NE2 2.9Å; H44-H48 PolarHBondContact NE2-NE2 3Å; L45-H48 PolarHBondContact O-N 3.41Å; R46-H48 PolarHBondContact O-N 3.4Å; H48-P50 WeakPolarHBondContact O-CD 3.45Å; H48-P60 HydrophobicContact CB-CB 4.3Å; H48-P60 HydrophobicContact CB-CG 3.69Å
49R88.7Confident85.1Confident77 Ų7772.5 Ų72.529%0.29136%0.361SS..  trans-56111173.6179.2178.6168.3-87.11.4109.3R46 L47 D71 Y74R46-R49 WeakPolarHBondContact O-CB 3.43Å; R46-R49 PolarHBondContact O-N 3.14Å; L47-R49 PolarHBondContact O-N 3.41Å; R49-D71 IonicContact CZ-OD1 2.81Å; R49-D71 IonicContact CZ-OD2 2.71Å; R49-D71 VanDerWaalsContact NE-CG 3.29Å; R49-D71 IonicContact NE-OD1 3.23Å; R49-D71 PolarHBondContact NE-OD1 3.03Å; R49-D71 IonicContact NE-OD2 3.28Å; R49-D71 PolarHBondContact NE-OD2 2.88Å; R49-D71 VanDerWaalsContact NH2-CG 3.33Å; R49-D71 IonicContact NH2-OD1 2.65Å; R49-D71 PolarHBondContact NH2-OD1 2.76Å; R49-D71 IonicContact NH2-OD2 3.29Å; R49-D71 PolarHBondContact NH2-OD2 3.14Å; R49-Y74 WeakPolarHBondContact CA-OH 3.1Å; R49-Y74 HydrophobicContact CB-CE1 3.8Å; R49-Y74 HydrophobicContact CG-CD1 4.23Å; R49-Y74 HydrophobicContact CG-CE1 3.95Å; R49-Y74 PolarHBondContact N-OH 2.77Å
50P81.8Confident84.8Confident41 Ų4171.7 Ų71.727%0.26635%0.352SS..  trans-78.4136177.620.4-10.6000109.3H48 R58H48-P50 WeakPolarHBondContact O-CD 3.45Å; P50-R58 WeakPolarHBondContact CD-O 3.44Å; P50-R58 WeakPolarHBondContact CG-O 3.48Å
51L72.2Confident84.4Confident144 Ų14467.1 Ų67.175%0.75433%0.331SS*.  trans-94.1110166.3-74.1166.6000107.2
52D69.2Low83.3Confident75 Ų7573.8 Ų73.840%0.40136%0.361SS..  trans-94.5156164.3-167.99000109.6E54 A55 R56D52-E54 PolarHBondContact O-N 3.23Å; D52-A55 PolarHBondContact O-N 3.18Å; D52-R56 WeakPolarHBondContact CB-O 3.36Å
53L65.8Low82.3Confident178 Ų17875.1 Ų75.193%0.93237%0.368SS*.THydrogen-bonded Turntrans-57.5-30.6175.9-68.3170.9000112A55L53-A55 VanDerWaalsContact C-N 3.27Å; L53-A55 PolarHBondContact O-N 2.91Å
54E72.8Confident81.8Confident120 Ų12071.4 Ų71.456%0.56135%0.352SS*.THydrogen-bonded Turntrans-86.210178.8-65-175.7-144.100113.6D52 R56D52-E54 PolarHBondContact O-N 3.23Å; E54-R56 HydrophobicContact CB-CG 4.39Å; E54-R56 PolarHBondContact O-N 2.96Å; E54-R56 IonicContact OE1-NH2 3.64Å; E54-R56 PolarHBondContact OE1-NH2 2.83Å; E54-R56 IonicContact OE2-CZ 3.88Å; E54-R56 IonicContact OE2-NE 2.91Å; E54-R56 PolarHBondContact OE2-NE 3.48Å; E54-R56 IonicContact OE2-NH1 3.34Å; E54-R56 PolarHBondContact OE2-NH1 3.35Å; E54-R56 IonicContact OE2-NH2 2.69Å; E54-R56 PolarHBondContact OE2-NH2 2.85Å
55A71.7Confident81Confident72 Ų7271.8 Ų71.860%0.59536%0.363SS*.SBendtrans56.617.8-17600000114.7D52 L53D52-A55 PolarHBondContact O-N 3.18Å; L53-A55 VanDerWaalsContact C-N 3.27Å; L53-A55 PolarHBondContact O-N 2.91Å
56R83.1Confident80.7Confident88 Ų8874.4 Ų74.433%0.33238%0.376SS..EExtended strand (participates in β ladder)trans-89142.4171.9-64.3-177-57.5-163.6-3.3110.1D52 E54 F68D52-R56 WeakPolarHBondContact CB-O 3.36Å; E54-R56 HydrophobicContact CB-CG 4.39Å; E54-R56 PolarHBondContact O-N 2.96Å; E54-R56 IonicContact OE1-NH2 3.64Å; E54-R56 PolarHBondContact OE1-NH2 2.83Å; E54-R56 IonicContact OE2-CZ 3.88Å; E54-R56 IonicContact OE2-NE 2.91Å; E54-R56 PolarHBondContact OE2-NE 3.48Å; E54-R56 IonicContact OE2-NH1 3.34Å; E54-R56 PolarHBondContact OE2-NH1 3.35Å; E54-R56 IonicContact OE2-NH2 2.69Å; E54-R56 PolarHBondContact OE2-NH2 2.85Å; R56-F68 WeakPolarHBondContact CA-O 3.47Å
57C84.1Confident80.4Confident1 Ų173.8 Ų73.81%0.00738%0.38CS..EExtended strand (participates in β ladder)trans-107.1115.5178.3-64.70000109.5F68 Y74C57-F68 PolarHBondContact N-O 3.11Å; C57-F68 WeakPolarHBondContact O-CD2 3.47Å; C57-F68 PolarHBondContact O-N 3.43Å; C57-Y74 HydrophobicContact CB-CD2 3.61Å; C57-Y74 HydrophobicContact CB-CE2 4.37Å; C57-Y74 HydrophobicContact CB-CG 3.78Å
58R87.3Confident80.1Confident134 Ų13468.2 Ų68.251%0.50635%0.35SS..EExtended strand (participates in β ladder)trans-84.5137.7168.6-171.3178.3-72-867.7110.2P50 P60 G65 M66 L67P50-R58 WeakPolarHBondContact CD-O 3.44Å; P50-R58 WeakPolarHBondContact CG-O 3.48Å; R58-P60 WeakPolarHBondContact O-CD 3.35Å; R58-G65 PolarHBondContact NH1-O 3.03Å; R58-M66 CarbonylContact C-O 3.57Å; R58-M66 WeakPolarHBondContact CA-O 3.34Å; R58-L67 HydrophobicContact CB-CD2 3.65Å; R58-L67 HydrophobicContact CG-CD2 3.93Å
59C86.8Confident79.9Confident4 Ų472.9 Ų72.93%0.02738%0.376CS..  trans-65.2122.9170.6-175.50000109.8V61 C64 M66 F68 H77 H81C59-V61 PolarHBondContact O-N 2.74Å; C59-C64 HydrophobicContact CB-CB 4.04Å; C59-C64 VanDerWaalsContact SG-SG 3.62Å; C59-M66 HydrophobicContact CB-CB 4.37Å; C59-M66 PolarHBondContact N-O 3.02Å; C59-F68 HydrophobicContact CB-CE2 4.43Å; C59-H77 PolarHBondContact SG-NE2 2.67Å; C59-H77 VanDerWaalsContact SG-NE2 3.37Å; C59-H81 PolarHBondContact SG-NE2 3.39Å
60P86.8Confident79.7Confident36 Ų3670.3 Ų70.323%0.23437%0.374CS..  trans-76.3-9.1-177.332-38.6000113.5I28 H48 R58 H62I28-P60 HydrophobicContact CD1-CB 3.96Å; I28-P60 HydrophobicContact CD1-CG 3.47Å; I28-P60 VanDerWaalsContact CD1-CG 3.47Å; I28-P60 HydrophobicContact CG1-CB 4.12Å; I28-P60 HydrophobicContact CG1-CG 4.05Å; I28-P60 HydrophobicContact CG2-CB 3.9Å; H48-P60 HydrophobicContact CB-CB 4.3Å; H48-P60 HydrophobicContact CB-CG 3.69Å; R58-P60 WeakPolarHBondContact O-CD 3.35Å; P60-H62 PolarHBondContact O-N 2.85Å
61V85Confident79.8Confident3 Ų371.4 Ų71.42%0.01838%0.378CS..BIsolated β-bridgetrans-69.9124.7178.7-178.80000109.5W9 I28 C59 H63 C64W9-V61 HydrophobicContact CH2-CG1 4.31Å; W9-V61 HydrophobicContact CH2-CG2 3.64Å; W9-V61 HydrophobicContact CZ2-CG1 3.91Å; W9-V61 HydrophobicContact CZ2-CG2 3.85Å; I28-V61 HydrophobicContact CD1-CG2 4.49Å; I28-V61 HydrophobicContact CG1-CG2 4.04Å; C59-V61 PolarHBondContact O-N 2.74Å; V61-H63 PolarHBondContact O-N 2.8Å; V61-C64 HydrophobicContact CB-CB 3.95Å; V61-C64 HydrophobicContact CG1-CB 4.36Å; V61-C64 PolarHBondContact O-N 2.91Å
62H70.4Confident80.5Confident140 Ų14069.9 Ų69.965%0.64837%0.374SS*.THydrogen-bonded Turntrans-50.6-30.3-166.5-176.7-86.5000115.4P60P60-H62 PolarHBondContact O-N 2.85Å
63H69.9Low81.3Confident54 Ų5468.2 Ų68.225%0.2537%0.371CS..THydrogen-bonded Turntrans-109.1-6.6-176.625.9-78.7000113.3V61V61-H63 PolarHBondContact O-N 2.8Å
64C81.1Confident82.3Confident18 Ų1859.8 Ų59.812%0.12233%0.326CS..THydrogen-bonded Turntrans-83.6-56.8179.9-1780000111.5C59 V61 M66 H77C59-C64 HydrophobicContact CB-CB 4.04Å; C59-C64 VanDerWaalsContact SG-SG 3.62Å; V61-C64 HydrophobicContact CB-CB 3.95Å; V61-C64 HydrophobicContact CG1-CB 4.36Å; V61-C64 PolarHBondContact O-N 2.91Å; C64-M66 PolarHBondContact O-N 2.66Å; C64-M66 WeakPolarHBondContact SG-CG 3.37Å; C64-H77 PolarHBondContact SG-CE1 3.28Å; C64-H77 PolarHBondContact SG-NE2 2.91Å
65G78.8Confident83Confident34 Ų3457.5 Ų57.535%0.35132%0.315SS..  trans62-1174.800000117.1R58R58-G65 PolarHBondContact NH1-O 3.03Å
66M84.3Confident83.7Confident57 Ų5759 Ų5928%0.28131%0.313SS..  trans-58.4149.5-177.2-65.4-70.1-72.800112.2R58 C59 C64 F68R58-M66 CarbonylContact C-O 3.57Å; R58-M66 WeakPolarHBondContact CA-O 3.34Å; C59-M66 HydrophobicContact CB-CB 4.37Å; C59-M66 PolarHBondContact N-O 3.02Å; C64-M66 PolarHBondContact O-N 2.66Å; C64-M66 WeakPolarHBondContact SG-CG 3.37Å; M66-F68 HydrophobicContact CB-CE1 4.45Å; M66-F68 HydrophobicContact CB-CE2 3.6Å; M66-F68 HydrophobicContact CB-CZ 3.44Å; M66-F68 VanDerWaalsContact CB-CZ 3.44Å; M66-F68 HydrophobicContact CG-CZ 4.32Å
67L85.1Confident83.8Confident85 Ų8555.4 Ų55.445%0.44530%0.3SS..EExtended strand (participates in β ladder)trans-119.8141.6-179.4-73.7162.5000109.8R58R58-L67 HydrophobicContact CB-CD2 3.65Å; R58-L67 HydrophobicContact CG-CD2 3.93Å
68F86.6Confident83.9Confident27 Ų2755.4 Ų55.412%0.11830%0.3CS..EExtended strand (participates in β ladder)trans-134.5139.6-175.9-56.4-77.2000111.7R56 C57 C59 M66 G70 A73 Y74 H77R56-F68 WeakPolarHBondContact CA-O 3.47Å; C57-F68 PolarHBondContact N-O 3.11Å; C57-F68 WeakPolarHBondContact O-CD2 3.47Å; C57-F68 PolarHBondContact O-N 3.43Å; C59-F68 HydrophobicContact CB-CE2 4.43Å; M66-F68 HydrophobicContact CB-CE1 4.45Å; M66-F68 HydrophobicContact CB-CE2 3.6Å; M66-F68 HydrophobicContact CB-CZ 3.44Å; M66-F68 VanDerWaalsContact CB-CZ 3.44Å; M66-F68 HydrophobicContact CG-CZ 4.32Å; F68-G70 PolarHBondContact O-N 3.41Å; F68-A73 HydrophobicContact CB-CB 4Å; F68-A73 HydrophobicContact CD1-CB 4.03Å; F68-A73 HydrophobicContact CG-CB 4.39Å; F68-Y74 HydrophobicContact CD2-CD2 4.03Å; F68-H77 HydrophobicContact CD1-CB 4.38Å; F68-H77 HydrophobicContact CD2-CB 4.46Å; F68-H77 HydrophobicContact CE1-CB 3.62Å; F68-H77 AromaticContact CE1-CG 3.95Å; F68-H77 HydrophobicContact CE2-CB 3.72Å; F68-H77 AromaticContact CE2-CD2 3.49Å; F68-H77 VanDerWaalsContact CE2-CD2 3.49Å; F68-H77 WeakPolarHBondContact CE2-CD2 3.13Å; F68-H77 AromaticContact CE2-CG 3.49Å; F68-H77 VanDerWaalsContact CE2-CG 3.49Å; F68-H77 HydrophobicContact CZ-CB 3.25Å; F68-H77 AromaticContact CZ-CD2 3.59Å; F68-H77 AromaticContact CZ-CG 3.09Å; F68-H77 AromaticContact CZ-ND1 3.4Å; F68-H77 WeakPolarHBondContact CZ-ND1 3.29Å
69D86.1Confident83.7Confident142 Ų14251.4 Ų51.476%0.75929%0.292SS*.EExtended strand (participates in β ladder)trans-85.389.1171.8-60.1-36.8000108.8
70G84.3Confident83.3Confident24 Ų2454.4 Ų54.425%0.24730%0.303CS..SBendtrans85.9176.1176.200000116.5F68 Y74F68-G70 PolarHBondContact O-N 3.41Å; G70-Y74 PolarHBondContact O-N 2.95Å
71D85.4Confident83.2Confident64 Ų6452.9 Ų52.934%0.34229%0.293SS..Hα-helixtrans-71.2-39.2-162.5-70.2-5.7000114R49 A73 Y74 F75R49-D71 IonicContact CZ-OD1 2.81Å; R49-D71 IonicContact CZ-OD2 2.71Å; R49-D71 VanDerWaalsContact NE-CG 3.29Å; R49-D71 IonicContact NE-OD1 3.23Å; R49-D71 PolarHBondContact NE-OD1 3.03Å; R49-D71 IonicContact NE-OD2 3.28Å; R49-D71 PolarHBondContact NE-OD2 2.88Å; R49-D71 VanDerWaalsContact NH2-CG 3.33Å; R49-D71 IonicContact NH2-OD1 2.65Å; R49-D71 PolarHBondContact NH2-OD1 2.76Å; R49-D71 IonicContact NH2-OD2 3.29Å; R49-D71 PolarHBondContact NH2-OD2 3.14Å; D71-A73 VanDerWaalsContact C-N 3.33Å; D71-A73 PolarHBondContact O-N 2.88Å; D71-Y74 PolarHBondContact O-N 3.39Å; D71-F75 HydrophobicContact CB-CD2 4Å; D71-F75 HydrophobicContact CB-CE2 3.88Å; D71-F75 WeakPolarHBondContact O-CB 3.48Å; D71-F75 WeakPolarHBondContact O-CD2 3.47Å; D71-F75 PolarHBondContact O-N 3.41Å
72V86.3Confident83.1Confident111 Ų11155.8 Ų55.867%0.67331%0.307SS*.Hα-helixtrans-61.7-45.2-177.2177.80000110.3N76V72-N76 VanDerWaalsContact O-CB 3.26Å; V72-N76 WeakPolarHBondContact O-CB 3.08Å; V72-N76 PolarHBondContact O-N 2.98Å; V72-N76 PolarHBondContact O-ND2 2.95Å
73A85.3Confident83.6Confident41 Ų4150.8 Ų50.834%0.33928%0.282SS..Hα-helixtrans-65.6-41.8177.800000111.6F68 D71 H77F68-A73 HydrophobicContact CB-CB 4Å; F68-A73 HydrophobicContact CD1-CB 4.03Å; F68-A73 HydrophobicContact CG-CB 4.39Å; D71-A73 VanDerWaalsContact C-N 3.33Å; D71-A73 PolarHBondContact O-N 2.88Å; A73-H77 WeakPolarHBondContact O-CB 3.39Å; A73-H77 PolarHBondContact O-N 3.26Å
74Y87.3Confident84Confident0 Ų048.9 Ų48.90%027%0.273CS..Hα-helixtrans-62.6-48.5176.1172.5-99.2000113.2R49 C57 F68 G70 D71 H77 L78R49-Y74 WeakPolarHBondContact CA-OH 3.1Å; R49-Y74 HydrophobicContact CB-CE1 3.8Å; R49-Y74 HydrophobicContact CG-CD1 4.23Å; R49-Y74 HydrophobicContact CG-CE1 3.95Å; R49-Y74 PolarHBondContact N-OH 2.77Å; C57-Y74 HydrophobicContact CB-CD2 3.61Å; C57-Y74 HydrophobicContact CB-CE2 4.37Å; C57-Y74 HydrophobicContact CB-CG 3.78Å; F68-Y74 HydrophobicContact CD2-CD2 4.03Å; G70-Y74 PolarHBondContact O-N 2.95Å; D71-Y74 PolarHBondContact O-N 3.39Å; Y74-H77 CarbonylContact O-C 3.45Å; Y74-H77 WeakPolarHBondContact O-CA 3.22Å; Y74-H77 VanDerWaalsContact O-CB 3.28Å; Y74-H77 WeakPolarHBondContact O-CB 3.49Å; Y74-H77 PolarHBondContact O-N 2.78Å; Y74-L78 HydrophobicContact CE1-CD1 3.79Å; Y74-L78 HydrophobicContact CE1-CG 4.11Å; Y74-L78 HydrophobicContact CE2-CD2 4.42Å; Y74-L78 PolarHBondContact O-N 3.34Å
75F87.9Confident84.1Confident72 Ų7248 Ų4832%0.31627%0.268SS..Hα-helixtrans-69.9-35.4-179.6-71.9-56.6000112.4R46 D71 H77 L78R46-F75 HydrophobicContact CB-CE1 3.95Å; R46-F75 HydrophobicContact CG-CD1 4.15Å; R46-F75 HydrophobicContact CG-CE1 3.93Å; D71-F75 HydrophobicContact CB-CD2 4Å; D71-F75 HydrophobicContact CB-CE2 3.88Å; D71-F75 WeakPolarHBondContact O-CB 3.48Å; D71-F75 WeakPolarHBondContact O-CD2 3.47Å; D71-F75 PolarHBondContact O-N 3.41Å; F75-H77 PolarHBondContact O-N 3.15Å; F75-L78 HydrophobicContact CD1-CD1 3.97Å; F75-L78 HydrophobicContact CE1-CD1 4.36Å; F75-L78 PolarHBondContact O-N 3.11Å
76N85.2Confident84.3Confident103 Ų10352.1 Ų52.155%0.55127%0.272SS*.Hα-helixtrans-59.4-37.2168.3-76.9-14.8000110.7V72 S79V72-N76 VanDerWaalsContact O-CB 3.26Å; V72-N76 WeakPolarHBondContact O-CB 3.08Å; V72-N76 PolarHBondContact O-N 2.98Å; V72-N76 PolarHBondContact O-ND2 2.95Å; N76-S79 WeakPolarHBondContact O-CB 3.33Å; N76-S79 PolarHBondContact O-N 3.37Å; N76-S79 PolarHBondContact O-OG 2.85Å
77H86Confident84Confident13 Ų1351.8 Ų51.86%0.0627%0.271CS..Hα-helixtrans-67-36.9174.3170.377.6000113.6C59 C64 F68 A73 Y74 F75 S79 Y80 H81C59-H77 PolarHBondContact SG-NE2 2.67Å; C59-H77 VanDerWaalsContact SG-NE2 3.37Å; C64-H77 PolarHBondContact SG-CE1 3.28Å; C64-H77 PolarHBondContact SG-NE2 2.91Å; F68-H77 HydrophobicContact CD1-CB 4.38Å; F68-H77 HydrophobicContact CD2-CB 4.46Å; F68-H77 HydrophobicContact CE1-CB 3.62Å; F68-H77 AromaticContact CE1-CG 3.95Å; F68-H77 HydrophobicContact CE2-CB 3.72Å; F68-H77 AromaticContact CE2-CD2 3.49Å; F68-H77 VanDerWaalsContact CE2-CD2 3.49Å; F68-H77 WeakPolarHBondContact CE2-CD2 3.13Å; F68-H77 AromaticContact CE2-CG 3.49Å; F68-H77 VanDerWaalsContact CE2-CG 3.49Å; F68-H77 HydrophobicContact CZ-CB 3.25Å; F68-H77 AromaticContact CZ-CD2 3.59Å; F68-H77 AromaticContact CZ-CG 3.09Å; F68-H77 AromaticContact CZ-ND1 3.4Å; F68-H77 WeakPolarHBondContact CZ-ND1 3.29Å; A73-H77 WeakPolarHBondContact O-CB 3.39Å; A73-H77 PolarHBondContact O-N 3.26Å; Y74-H77 CarbonylContact O-C 3.45Å; Y74-H77 WeakPolarHBondContact O-CA 3.22Å; Y74-H77 VanDerWaalsContact O-CB 3.28Å; Y74-H77 WeakPolarHBondContact O-CB 3.49Å; Y74-H77 PolarHBondContact O-N 2.78Å; F75-H77 PolarHBondContact O-N 3.15Å; H77-S79 PolarHBondContact O-N 3.17Å; H77-S79 VanDerWaalsContact O-N 3.07Å; H77-Y80 VanDerWaalsContact CA-CD2 3.48Å; H77-Y80 HydrophobicContact CB-CD2 4.15Å; H77-Y80 HydrophobicContact CB-CE2 4.38Å; H77-Y80 AromaticContact ND1-CD2 3.42Å; H77-Y80 WeakPolarHBondContact ND1-CD2 3.32Å; H77-Y80 VanDerWaalsContact O-CB 3.25Å; H77-Y80 WeakPolarHBondContact O-CB 3.21Å; H77-Y80 WeakPolarHBondContact O-CD2 3.47Å; H77-Y80 PolarHBondContact O-N 3.24Å; H77-H81 AromaticContact CE1-NE2 3.93Å; H77-H81 AromaticContact NE2-CD2 3.87Å; H77-H81 AromaticContact NE2-NE2 3.28Å; H77-H81 PolarHBondContact NE2-NE2 3.09Å
78L86.1Confident83.8Confident2 Ų250.2 Ų50.21%0.0126%0.262CS..Hα-helixtrans-58.9-26.3176.3-67.5-172.1000113.2F42 L45 R46 Y74 F75 Y80 H81 H82F42-L78 HydrophobicContact CE2-CB 4.07Å; F42-L78 WeakPolarHBondContact CE2-O 3.29Å; F42-L78 HydrophobicContact CZ-CB 4.47Å; L45-L78 HydrophobicContact CB-CD1 4.48Å; R46-L78 HydrophobicContact CB-CD1 4.47Å; R46-L78 HydrophobicContact CG-CD1 3.94Å; Y74-L78 HydrophobicContact CE1-CD1 3.79Å; Y74-L78 HydrophobicContact CE1-CG 4.11Å; Y74-L78 HydrophobicContact CE2-CD2 4.42Å; Y74-L78 PolarHBondContact O-N 3.34Å; F75-L78 HydrophobicContact CD1-CD1 3.97Å; F75-L78 HydrophobicContact CE1-CD1 4.36Å; F75-L78 PolarHBondContact O-N 3.11Å; L78-Y80 PolarHBondContact O-N 3.31Å; L78-Y80 VanDerWaalsContact O-N 3.14Å; L78-H81 PolarHBondContact O-N 2.61Å; L78-H81 VanDerWaalsContact O-N 3.09Å; L78-H82 PolarHBondContact O-N 3.04Å
79S83Confident83.7Confident49 Ų4950.8 Ų50.834%0.34326%0.264SS..Hα-helixtrans-58.1-24.217378.50000113.5N76 H77 Y83N76-S79 WeakPolarHBondContact O-CB 3.33Å; N76-S79 PolarHBondContact O-N 3.37Å; N76-S79 PolarHBondContact O-OG 2.85Å; H77-S79 PolarHBondContact O-N 3.17Å; H77-S79 VanDerWaalsContact O-N 3.07Å; S79-Y83 PolarHBondContact O-N 3.27Å
80Y79.3Confident83.4Confident67 Ų6746.2 Ų46.226%0.26324%0.238SC..Hα-helixtrans-68.2-48172.6-64.7-68.6000112.3H77 L78 H82 Y83 E84 R119H77-Y80 VanDerWaalsContact CA-CD2 3.48Å; H77-Y80 HydrophobicContact CB-CD2 4.15Å; H77-Y80 HydrophobicContact CB-CE2 4.38Å; H77-Y80 AromaticContact ND1-CD2 3.42Å; H77-Y80 WeakPolarHBondContact ND1-CD2 3.32Å; H77-Y80 VanDerWaalsContact O-CB 3.25Å; H77-Y80 WeakPolarHBondContact O-CB 3.21Å; H77-Y80 WeakPolarHBondContact O-CD2 3.47Å; H77-Y80 PolarHBondContact O-N 3.24Å; L78-Y80 PolarHBondContact O-N 3.31Å; L78-Y80 VanDerWaalsContact O-N 3.14Å; Y80-H82 PolarHBondContact O-N 2.89Å; Y80-Y83 CarbonylContact O-C 3.2Å; Y80-Y83 WeakPolarHBondContact O-CA 3.34Å; Y80-Y83 VanDerWaalsContact O-CB 3.32Å; Y80-Y83 WeakPolarHBondContact O-CB 3.29Å; Y80-Y83 PolarHBondContact O-N 3.12Å; Y80-E84 PolarHBondContact O-N 3.25Å; Y80-R119 HydrophobicContact CE1-CB 3.47Å; Y80-R119 VanDerWaalsContact CE1-CB 3.47Å; Y80-R119 HydrophobicContact CE1-CG 3.84Å; Y80-R119 WeakPolarHBondContact OH-CB 3.4Å; Y80-R119 WeakPolarHBondContact OH-CD 3.44Å; Y80-R119 WeakPolarHBondContact OH-CG 3.44Å
81H83.5Confident83Confident5 Ų545.6 Ų45.62%0.02323%0.232CC..Hα-helixtrans-63.9-35.4176.4-65.7-49.6000111W9 L45 C59 H77 L78 Y83 E84 I85W9-H81 HydrophobicContact CH2-CB 4.48Å; W9-H81 HydrophobicContact CZ2-CB 4Å; W9-H81 AromaticContact CZ2-CG 3.86Å; W9-H81 AromaticContact CZ2-ND1 3.68Å; L45-H81 HydrophobicContact CD1-CB 4.22Å; C59-H81 PolarHBondContact SG-NE2 3.39Å; H77-H81 AromaticContact CE1-NE2 3.93Å; H77-H81 AromaticContact NE2-CD2 3.87Å; H77-H81 AromaticContact NE2-NE2 3.28Å; H77-H81 PolarHBondContact NE2-NE2 3.09Å; L78-H81 PolarHBondContact O-N 2.61Å; L78-H81 VanDerWaalsContact O-N 3.09Å; H81-Y83 VanDerWaalsContact C-N 3.29Å; H81-Y83 PolarHBondContact O-N 3.04Å; H81-E84 IonicContact CE1-OE2 3.99Å; H81-E84 IonicContact CG-OE2 3.96Å; H81-E84 IonicContact ND1-OE2 3.33Å; H81-E84 PolarHBondContact ND1-OE2 2.99Å; H81-E84 WeakPolarHBondContact O-CB 3.47Å; H81-E84 PolarHBondContact O-N 3.15Å; H81-I85 WeakPolarHBondContact O-CB 2.9Å; H81-I85 WeakPolarHBondContact O-CD1 3.49Å; H81-I85 WeakPolarHBondContact O-CG1 3.04Å; H81-I85 PolarHBondContact O-N 3.44Å
82H83.7Confident82.7Confident64 Ų6444.4 Ų44.430%0.29623%0.226SC..Hα-helixtrans-60.3-38.8170.6-173.6-140.2000112.9F42 L78 Y80 R86F42-H82 HydrophobicContact CD2-CB 3.61Å; F42-H82 AromaticContact CD2-CG 3.94Å; F42-H82 HydrophobicContact CE2-CB 3.59Å; F42-H82 HydrophobicContact CG-CB 4.48Å; F42-H82 HydrophobicContact CZ-CB 4.42Å; L78-H82 PolarHBondContact O-N 3.04Å; Y80-H82 PolarHBondContact O-N 2.89Å; H82-R86 PolarHBondContact O-N 2.06Å
83Y80Confident82.3Confident35 Ų3544.9 Ų44.914%0.13722%0.216CC..Hα-helixtrans-66.7-41173.8-177-109.7000112.4S79 Y80 H81 R86 L87 R110 M111 Y113S79-Y83 PolarHBondContact O-N 3.27Å; Y80-Y83 CarbonylContact O-C 3.2Å; Y80-Y83 WeakPolarHBondContact O-CA 3.34Å; Y80-Y83 VanDerWaalsContact O-CB 3.32Å; Y80-Y83 WeakPolarHBondContact O-CB 3.29Å; Y80-Y83 PolarHBondContact O-N 3.12Å; H81-Y83 VanDerWaalsContact C-N 3.29Å; H81-Y83 PolarHBondContact O-N 3.04Å; Y83-R86 WeakPolarHBondContact O-CB 3.32Å; Y83-R86 PolarHBondContact O-N 3.09Å; Y83-L87 HydrophobicContact CD1-CD1 3.96Å; Y83-L87 HydrophobicContact CD1-CG 4.36Å; Y83-L87 HydrophobicContact CE1-CD1 3.36Å; Y83-L87 HydrophobicContact CE1-CD2 4.48Å; Y83-L87 HydrophobicContact CE1-CG 3.93Å; Y83-L87 HydrophobicContact CE2-CD2 4.34Å; Y83-L87 HydrophobicContact CE2-CG 4.27Å; Y83-L87 WeakPolarHBondContact O-CG 3.46Å; Y83-L87 PolarHBondContact O-N 3.21Å; Y83-R110 WeakPolarHBondContact OH-CA 3.32Å; Y83-M111 PolarHBondContact OH-N 2.89Å; Y83-M111 VanDerWaalsContact OH-N 3.15Å; Y83-Y113 WeakPolarHBondContact CD1-OH 3.42Å; Y83-Y113 AromaticContact CE1-CE2 3.83Å; Y83-Y113 HydrophobicContact CE1-CE2 3.83Å; Y83-Y113 AromaticContact CE1-CZ 3.87Å; Y83-Y113 WeakPolarHBondContact CE1-OH 3.46Å
84E79.7Confident81.8Confident14 Ų1444 Ų447%0.06521%0.205CC..Hα-helixtrans-60.1-47.2173.4-66.4-174.9124.800111.9W9 Y80 H81 R86 L87 Q88 Y121W9-E84 PolarHBondContact NE1-OE2 3.32Å; Y80-E84 PolarHBondContact O-N 3.25Å; H81-E84 IonicContact CE1-OE2 3.99Å; H81-E84 IonicContact CG-OE2 3.96Å; H81-E84 IonicContact ND1-OE2 3.33Å; H81-E84 PolarHBondContact ND1-OE2 2.99Å; H81-E84 WeakPolarHBondContact O-CB 3.47Å; H81-E84 PolarHBondContact O-N 3.15Å; E84-R86 VanDerWaalsContact C-N 3.26Å; E84-R86 PolarHBondContact O-N 3.05Å; E84-L87 PolarHBondContact O-N 3.25Å; E84-L87 VanDerWaalsContact O-N 3.13Å; E84-Q88 WeakPolarHBondContact O-CG 3.32Å; E84-Q88 PolarHBondContact O-N 3.41Å; E84-Y121 HydrophobicContact CG-CE2 4.41Å; E84-Y121 WeakPolarHBondContact OE1-CE2 3.47Å; E84-Y121 VanDerWaalsContact OE1-CZ 3.29Å; E84-Y121 PolarHBondContact OE1-OH 3.39Å
85I83.1Confident81.1Confident0 Ų049 Ų490%023%0.232CC..Hα-helixtrans-54.2-47.2175.5-69.5158.8000109.8W9 V10 F24 K38 L41 L45 H81 Q88 F89W9-I85 HydrophobicContact CB-CB 4.46Å; W9-I85 HydrophobicContact CB-CG1 3.63Å; W9-I85 HydrophobicContact CD2-CD1 4.4Å; W9-I85 HydrophobicContact CD2-CG1 3.93Å; W9-I85 HydrophobicContact CE3-CD1 4.34Å; W9-I85 HydrophobicContact CE3-CG1 4.26Å; W9-I85 HydrophobicContact CG-CG1 3.65Å; V10-I85 HydrophobicContact CG2-CG2 4.28Å; F24-I85 HydrophobicContact CD1-CG2 3.66Å; F24-I85 HydrophobicContact CE1-CG2 3.82Å; K38-I85 HydrophobicContact CD-CG2 4.07Å; K38-I85 HydrophobicContact CG-CG2 3.82Å; L41-I85 HydrophobicContact CD2-CD1 3.62Å; L41-I85 HydrophobicContact CD2-CG1 4.03Å; L41-I85 HydrophobicContact CG-CD1 4.16Å; L45-I85 HydrophobicContact CD1-CD1 4.04Å; H81-I85 WeakPolarHBondContact O-CB 2.9Å; H81-I85 WeakPolarHBondContact O-CD1 3.49Å; H81-I85 WeakPolarHBondContact O-CG1 3.04Å; H81-I85 PolarHBondContact O-N 3.44Å; I85-Q88 PolarHBondContact O-N 2.84Å; I85-F89 WeakPolarHBondContact O-CB 3.32Å; I85-F89 PolarHBondContact O-N 3.45Å
86R83.1Confident80.5Confident120 Ų12048 Ų4845%0.45323%0.23SC..Hα-helixtrans-59.8-48.1177.2179.6-176.4175.5-178.9-2.1111.6H82 Y83 E84 F89 E90H82-R86 PolarHBondContact O-N 2.06Å; Y83-R86 WeakPolarHBondContact O-CB 3.32Å; Y83-R86 PolarHBondContact O-N 3.09Å; E84-R86 VanDerWaalsContact C-N 3.26Å; E84-R86 PolarHBondContact O-N 3.05Å; R86-F89 PolarHBondContact O-N 2.84Å; R86-E90 HydrophobicContact CG-CG 4.4Å; R86-E90 WeakPolarHBondContact O-CG 3.39Å; R86-E90 PolarHBondContact O-N 3.06Å
87L77.3Confident79.9Confident49 Ų4947.4 Ų47.426%0.25723%0.233SC..Hα-helixtrans-63.4-43.7-178.8-73.4-177.7000112.2Y83 E84 G91 L109Y83-L87 HydrophobicContact CD1-CD1 3.96Å; Y83-L87 HydrophobicContact CD1-CG 4.36Å; Y83-L87 HydrophobicContact CE1-CD1 3.36Å; Y83-L87 HydrophobicContact CE1-CD2 4.48Å; Y83-L87 HydrophobicContact CE1-CG 3.93Å; Y83-L87 HydrophobicContact CE2-CD2 4.34Å; Y83-L87 HydrophobicContact CE2-CG 4.27Å; Y83-L87 WeakPolarHBondContact O-CG 3.46Å; Y83-L87 PolarHBondContact O-N 3.21Å; E84-L87 PolarHBondContact O-N 3.25Å; E84-L87 VanDerWaalsContact O-N 3.13Å; L87-G91 PolarHBondContact O-N 3.4Å; L87-L109 HydrophobicContact CD2-CB 4.35Å
88Q80.9Confident78.9Confident53 Ų5349.4 Ų49.425%0.24824%0.243CC..Hα-helixtrans-64.6-42.7177.1-70.1-176.412.300111.3V10 E84 I85 G91 L92V10-Q88 HydrophobicContact CB-CB 4.16Å; V10-Q88 HydrophobicContact CG2-CB 3.81Å; E84-Q88 WeakPolarHBondContact O-CG 3.32Å; E84-Q88 PolarHBondContact O-N 3.41Å; I85-Q88 PolarHBondContact O-N 2.84Å; Q88-G91 PolarHBondContact O-N 3.2Å; Q88-L92 VanDerWaalsContact O-CB 3.23Å; Q88-L92 WeakPolarHBondContact O-CB 3.37Å; Q88-L92 PolarHBondContact O-N 2.9Å
89F83.7Confident77.4Confident38 Ų3855.4 Ų55.417%0.16728%0.275CS..Hα-helixtrans-59.8-52.9177.3174-106.1000112.1V10 L22 F24 I85 R86 G91 L92 R93V10-F89 HydrophobicContact CG1-CB 4.44Å; V10-F89 HydrophobicContact CG1-CD2 4.36Å; V10-F89 HydrophobicContact CG2-CB 4.09Å; L22-F89 HydrophobicContact CB-CE2 4.33Å; L22-F89 HydrophobicContact CD1-CD2 3.88Å; L22-F89 HydrophobicContact CD1-CE2 3.58Å; L22-F89 HydrophobicContact CD1-CZ 4.48Å; F24-F89 HydrophobicContact CE1-CB 4.12Å; F24-F89 AromaticContact CE1-CD2 3.74Å; F24-F89 HydrophobicContact CE1-CD2 3.74Å; F24-F89 HydrophobicContact CE1-CE2 4.39Å; F24-F89 HydrophobicContact CE1-CG 4.11Å; F24-F89 HydrophobicContact CE2-CD2 4.46Å; F24-F89 HydrophobicContact CE2-CE2 4.38Å; F24-F89 AromaticContact CZ-CD2 3.4Å; F24-F89 HydrophobicContact CZ-CD2 3.4Å; F24-F89 AromaticContact CZ-CE2 3.6Å; F24-F89 HydrophobicContact CZ-CE2 3.6Å; F24-F89 HydrophobicContact CZ-CG 4.08Å; F24-F89 HydrophobicContact CZ-CZ 4.4Å; I85-F89 WeakPolarHBondContact O-CB 3.32Å; I85-F89 PolarHBondContact O-N 3.45Å; R86-F89 PolarHBondContact O-N 2.84Å; F89-G91 VanDerWaalsContact C-N 3.33Å; F89-G91 PolarHBondContact O-N 3Å; F89-L92 PolarHBondContact O-N 2.91Å; F89-R93 HydrophobicContact CD2-CG 4.47Å; F89-R93 HydrophobicContact CE1-CG 4.4Å; F89-R93 HydrophobicContact CE2-CG 4.25Å; F89-R93 HydrophobicContact CZ-CG 4.25Å; F89-R93 WeakPolarHBondContact O-CB 3.32Å; F89-R93 WeakPolarHBondContact O-CG 3.25Å; F89-R93 PolarHBondContact O-N 3.43Å
90E80.2Confident75.9Confident46 Ų4662 Ų6222%0.21530%0.297CS..Hα-helixtrans-66.9-38.1-179.1-60.4-65.6-179.500111.5R86 R93 V94 L109R86-E90 HydrophobicContact CG-CG 4.4Å; R86-E90 WeakPolarHBondContact O-CG 3.39Å; R86-E90 PolarHBondContact O-N 3.06Å; E90-R93 PolarHBondContact O-N 2.95Å; E90-R93 IonicContact OE1-NH1 3.72Å; E90-R93 IonicContact OE2-CZ 3.43Å; E90-R93 IonicContact OE2-NH1 2.67Å; E90-R93 PolarHBondContact OE2-NH1 2.93Å; E90-V94 VanDerWaalsContact O-CG2 3.29Å; E90-V94 WeakPolarHBondContact O-CG2 3.08Å; E90-V94 PolarHBondContact O-N 2.78Å; E90-L109 HydrophobicContact CB-CD1 3.31Å; E90-L109 HydrophobicContact CG-CD1 3.71Å
91G75.9Confident74.6Confident12 Ų1262.7 Ų62.712%0.12433%0.325CS..Hα-helixtrans-60.3-46.4174.400000112.2L87 Q88 F89 V94 L95L87-G91 PolarHBondContact O-N 3.4Å; Q88-G91 PolarHBondContact O-N 3.2Å; F89-G91 VanDerWaalsContact C-N 3.33Å; F89-G91 PolarHBondContact O-N 3Å; G91-V94 PolarHBondContact O-N 2.97Å; G91-L95 WeakPolarHBondContact O-CG 3.49Å; G91-L95 PolarHBondContact O-N 2.64Å
92L78.6Confident73Confident39 Ų3968.6 Ų68.620%0.20436%0.356CS..Hα-helixtrans-70.1-36.8-179.4-166.356.2000111.9V10 T12 L22 Q88 F89 V94 L95 I96V10-L92 HydrophobicContact CB-CD2 4.46Å; V10-L92 HydrophobicContact CG1-CD2 4.03Å; T12-L92 HydrophobicContact CG2-CD1 4.22Å; T12-L92 HydrophobicContact CG2-CD2 3.85Å; T12-L92 HydrophobicContact CG2-CG 4.02Å; L22-L92 HydrophobicContact CD2-CB 4.11Å; L22-L92 HydrophobicContact CD2-CD2 3.46Å; L22-L92 VanDerWaalsContact CD2-CD2 3.46Å; L22-L92 HydrophobicContact CD2-CG 3.67Å; Q88-L92 VanDerWaalsContact O-CB 3.23Å; Q88-L92 WeakPolarHBondContact O-CB 3.37Å; Q88-L92 PolarHBondContact O-N 2.9Å; F89-L92 PolarHBondContact O-N 2.91Å; L92-V94 VanDerWaalsContact C-N 3.32Å; L92-V94 PolarHBondContact O-N 3.33Å; L92-L95 HydrophobicContact CD1-CD1 4.43Å; L92-L95 PolarHBondContact O-N 3.05Å; L92-I96 HydrophobicContact CG-CD1 4.15Å; L92-I96 VanDerWaalsContact O-CG1 3.25Å; L92-I96 WeakPolarHBondContact O-CG1 3.47Å; L92-I96 PolarHBondContact O-N 3.28Å
93R78.8Confident71.5Confident121 Ų12169.4 Ų69.446%0.45737%0.369SS..Hα-helixtrans-57.3-45.5171-79.4-17970.9-161.310.9112.3L22 F89 E90 L95 I96 S97L22-R93 HydrophobicContact CD1-CG 3.32Å; F89-R93 HydrophobicContact CD2-CG 4.47Å; F89-R93 HydrophobicContact CE1-CG 4.4Å; F89-R93 HydrophobicContact CE2-CG 4.25Å; F89-R93 HydrophobicContact CZ-CG 4.25Å; F89-R93 WeakPolarHBondContact O-CB 3.32Å; F89-R93 WeakPolarHBondContact O-CG 3.25Å; F89-R93 PolarHBondContact O-N 3.43Å; E90-R93 PolarHBondContact O-N 2.95Å; E90-R93 IonicContact OE1-NH1 3.72Å; E90-R93 IonicContact OE2-CZ 3.43Å; E90-R93 IonicContact OE2-NH1 2.67Å; E90-R93 PolarHBondContact OE2-NH1 2.93Å; R93-L95 VanDerWaalsContact C-N 3.34Å; R93-I96 PolarHBondContact O-N 2.88Å; R93-S97 VanDerWaalsContact O-CB 3.29Å; R93-S97 WeakPolarHBondContact O-CB 3.14Å; R93-S97 PolarHBondContact O-N 2.9Å; R93-S97 PolarHBondContact O-OG 3.01Å; R93-S97 VanDerWaalsContact O-OG 3.11Å
94V74.9Confident70.4Confident21 Ų2173 Ų7313%0.12740%0.397CS..Hα-helixtrans-59.8-48.5176.3170.10000109.8E90 G91 L92 I96 S97 Q98 L105 P106 W130E90-V94 VanDerWaalsContact O-CG2 3.29Å; E90-V94 WeakPolarHBondContact O-CG2 3.08Å; E90-V94 PolarHBondContact O-N 2.78Å; G91-V94 PolarHBondContact O-N 2.97Å; L92-V94 VanDerWaalsContact C-N 3.32Å; L92-V94 PolarHBondContact O-N 3.33Å; V94-I96 PolarHBondContact O-N 2.91Å; V94-S97 WeakPolarHBondContact CA-OG 3.46Å; V94-S97 PolarHBondContact O-N 2.87Å; V94-S97 PolarHBondContact O-OG 3.05Å; V94-Q98 HydrophobicContact CG1-CG 4.22Å; V94-Q98 WeakPolarHBondContact O-CB 3.06Å; V94-Q98 VanDerWaalsContact O-CG 3.32Å; V94-Q98 WeakPolarHBondContact O-CG 3.2Å; V94-Q98 PolarHBondContact O-N 3.04Å; V94-L105 HydrophobicContact CG1-CD2 3.95Å; V94-P106 HydrophobicContact CB-CG 4.33Å; V94-P106 HydrophobicContact CG1-CG 3.76Å; V94-P106 HydrophobicContact CG2-CG 3.55Å; V94-W130 HydrophobicContact CG1-CH2 4.27Å
95L72.9Confident69.3Low107 Ų10774.6 Ų74.656%0.5641%0.405SS*.Hα-helixtrans-61.1-40.6179.9-68.5172.4000113.4G91 L92 R93G91-L95 WeakPolarHBondContact O-CG 3.49Å; G91-L95 PolarHBondContact O-N 2.64Å; L92-L95 HydrophobicContact CD1-CD1 4.43Å; L92-L95 PolarHBondContact O-N 3.05Å; R93-L95 VanDerWaalsContact C-N 3.34Å
96I75.3Confident68.2Low51 Ų5177.3 Ų77.326%0.26242%0.423SS..Hα-helixtrans-69.1-42.8176.8-63.7164.4000110.7T12 Q20 L22 L92 R93 V94 Q98T12-I96 HydrophobicContact CG2-CD1 3.46Å; T12-I96 VanDerWaalsContact CG2-CD1 3.46Å; T12-I96 HydrophobicContact CG2-CG1 4.1Å; Q20-I96 HydrophobicContact CB-CG2 4.32Å; L22-I96 HydrophobicContact CD1-CD1 4.42Å; L22-I96 HydrophobicContact CD2-CD1 3.68Å; L22-I96 HydrophobicContact CG-CD1 4.03Å; L92-I96 HydrophobicContact CG-CD1 4.15Å; L92-I96 VanDerWaalsContact O-CG1 3.25Å; L92-I96 WeakPolarHBondContact O-CG1 3.47Å; L92-I96 PolarHBondContact O-N 3.28Å; R93-I96 PolarHBondContact O-N 2.88Å; V94-I96 PolarHBondContact O-N 2.91Å; I96-Q98 VanDerWaalsContact C-N 3.33Å
97S72.6Confident67.1Low90 Ų9076.9 Ų76.963%0.62943%0.426SS*.Hα-helixtrans-69.4-32.3-179.2700000112.8R93 V94 N99R93-S97 VanDerWaalsContact O-CB 3.29Å; R93-S97 WeakPolarHBondContact O-CB 3.14Å; R93-S97 PolarHBondContact O-N 2.9Å; R93-S97 PolarHBondContact O-OG 3.01Å; R93-S97 VanDerWaalsContact O-OG 3.11Å; V94-S97 WeakPolarHBondContact CA-OG 3.46Å; V94-S97 PolarHBondContact O-N 2.87Å; V94-S97 PolarHBondContact O-OG 3.05Å; S97-N99 PolarHBondContact O-N 3.38Å
98Q65.3Low66.4Low55 Ų5575.2 Ų75.226%0.25742%0.418SS..  trans-79.279.1174.9-71.2-172.4-9.800109.1V94 I96 K100V94-Q98 HydrophobicContact CG1-CG 4.22Å; V94-Q98 WeakPolarHBondContact O-CB 3.06Å; V94-Q98 VanDerWaalsContact O-CG 3.32Å; V94-Q98 WeakPolarHBondContact O-CG 3.2Å; V94-Q98 PolarHBondContact O-N 3.04Å; I96-Q98 VanDerWaalsContact C-N 3.33Å; Q98-K100 VanDerWaalsContact C-N 3.33Å; Q98-K100 PolarHBondContact O-N 2.95Å
99N54.1Low65.4Low128 Ų12876.8 Ų76.868%0.68443%0.428SS*.  trans-57.3102.6157-121.1-43.1000107.4S97S97-N99 PolarHBondContact O-N 3.38Å
100K52.2Low64.2Low186 Ų18678.7 Ų78.781%0.80943%0.434SS*.SBendtrans56.394159.7-57178.9-179-179.30116.1Q98 L102Q98-K100 VanDerWaalsContact C-N 3.33Å; Q98-K100 PolarHBondContact O-N 2.95Å; K100-L102 PolarHBondContact O-N 3.13Å
101G50.7Low62.9Low83 Ų8381.5 Ų81.586%0.85645%0.449SS*.  trans83.35.6146.700000118.4S103G101-S103 PolarHBondContact O-N 2.98Å; G101-S103 VanDerWaalsContact O-N 3.09Å
102L49.6Very low61.7Low129 Ų12984.2 Ų84.268%0.67546%0.464SS*.  trans-80.294.8175.9-71.6166.6000111.2K100K100-L102 PolarHBondContact O-N 3.13Å
103S52.6Low60.1Low80 Ų8086.2 Ų86.256%0.55947%0.469SS*.PPolyproline II helixtrans-72.2143.8157.2175.50000109.4G101G101-S103 PolarHBondContact O-N 2.98Å; G101-S103 VanDerWaalsContact O-N 3.09Å
104P56.7Low58.4Low111 Ų11182.8 Ų82.872%0.72147%0.467SS*.PPolyproline II helixcis-92.8143.84.732.5-30.6000113.6
105L58.3Low56.9Low47 Ų4789.1 Ų89.125%0.24650%0.495CS..PPolyproline II helixtrans-53.3144.3163.7-76.2164000110.3V94 W130V94-L105 HydrophobicContact CG1-CD2 3.95Å; L105-W130 HydrophobicContact CB-CE3 3.53Å; L105-W130 HydrophobicContact CB-CZ3 3.5Å; L105-W130 HydrophobicContact CD1-CB 4.01Å; L105-W130 HydrophobicContact CD1-CD2 3.96Å; L105-W130 HydrophobicContact CD1-CE3 3.62Å; L105-W130 HydrophobicContact CD1-CG 4.18Å; L105-W130 HydrophobicContact CD1-CZ3 4.34Å; L105-W130 HydrophobicContact CD2-CE3 4.11Å; L105-W130 HydrophobicContact CD2-CH2 4.39Å; L105-W130 HydrophobicContact CD2-CZ3 4.05Å; L105-W130 HydrophobicContact CG-CE3 3.96Å; L105-W130 HydrophobicContact CG-CZ3 4.18Å
106P59.5Low55.2Low57 Ų5789 Ų8937%0.3750%0.503SS..PPolyproline II helixtrans-60166.8-179.321.3-28.9000112.4V94 C108 W130V94-P106 HydrophobicContact CB-CG 4.33Å; V94-P106 HydrophobicContact CG1-CG 3.76Å; V94-P106 HydrophobicContact CG2-CG 3.55Å; P106-C108 PolarHBondContact O-N 3.44Å; P106-W130 HydrophobicContact CG-CH2 4.05Å; P106-W130 HydrophobicContact CG-CZ3 4.25Å; P106-W130 VanDerWaalsContact O-CZ3 3.29Å; P106-W130 WeakPolarHBondContact O-CZ3 3.49Å
107E59.1Low53.5Low111 Ų11189.4 Ų89.452%0.51951%0.506SS..PPolyproline II helixtrans-52.7131.8179.1-171.4172.7-171.700111L109 R147E107-L109 PolarHBondContact O-N 3.38Å; E107-R147 IonicContact OE1-CZ 3.96Å; E107-R147 IonicContact OE1-NH1 3.93Å; E107-R147 PolarHBondContact OE1-NH1 3.26Å; E107-R147 IonicContact OE1-NH2 3.86Å; E107-R147 PolarHBondContact OE1-NH2 2.91Å
108C62Low52.1Low14 Ų1492.3 Ų92.310%0.09551%0.507CS..  trans-59.8109.4-179.2179.10000109.6P106 R110 C128 C133 K135P106-C108 PolarHBondContact O-N 3.44Å; C108-R110 PolarHBondContact O-N 2.95Å; C108-R110 VanDerWaalsContact SG-CB 3.57Å; C108-C128 VanDerWaalsContact SG-SG 3.61Å; C108-C133 VanDerWaalsContact CB-SG 3.55Å; C108-C133 PolarHBondContact SG-SG 3.14Å; C108-K135 HydrophobicContact CB-CB 4.09Å; C108-K135 HydrophobicContact CB-CD 4.05Å; C108-K135 HydrophobicContact CB-CG 3.9Å
109L60.4Low51.2Low87 Ų8795.3 Ų95.346%0.45552%0.516SS..  trans-66.8-2.4-177-60.9177.4000114.2L87 E90 E107 M111L87-L109 HydrophobicContact CD2-CB 4.35Å; E90-L109 HydrophobicContact CB-CD1 3.31Å; E90-L109 HydrophobicContact CG-CD1 3.71Å; E107-L109 PolarHBondContact O-N 3.38Å; L109-M111 PolarHBondContact O-N 3.47Å; L109-M111 VanDerWaalsContact O-N 3.09Å
110R59.7Low50.5Low77 Ų7796.8 Ų96.829%0.29152%0.517SS..  trans-57121.2168-174.2-178177.116310106.3Y83 C108 L126 K135Y83-R110 WeakPolarHBondContact OH-CA 3.32Å; C108-R110 PolarHBondContact O-N 2.95Å; C108-R110 VanDerWaalsContact SG-CB 3.57Å; R110-L126 PolarHBondContact NH1-O 3.47Å; R110-L126 PolarHBondContact NH2-O 2.86Å; R110-K135 HydrophobicContact CB-CD 4.07Å; R110-K135 WeakPolarHBondContact O-CE 3.48Å; R110-K135 PolarHBondContact O-NZ 3.27Å
111M52.5Low50.3Low106 Ų10690.8 Ų90.852%0.52249%0.49SS..  trans-68141.4170.5-77.1-177.548.600108.7Y83 L109 Y113 K135Y83-M111 PolarHBondContact OH-N 2.89Å; Y83-M111 VanDerWaalsContact OH-N 3.15Å; L109-M111 PolarHBondContact O-N 3.47Å; L109-M111 VanDerWaalsContact O-N 3.09Å; M111-Y113 PolarHBondContact O-N 3.14Å; M111-K135 PolarHBondContact O-NZ 3.33Å
112P50Low50.1Low68 Ų6889.7 Ų89.744%0.44246%0.464SS..  trans-64.995.5162.127.3-27.4000105.7A114P112-A114 PolarHBondContact O-N 3.03Å
113Y45.9Very low49.8Very low81 Ų8186.8 Ų86.832%0.31847%0.466SS..  trans-58.6129.1160-68.2-69.6000105.6Y83 M111 D117Y83-Y113 WeakPolarHBondContact CD1-OH 3.42Å; Y83-Y113 AromaticContact CE1-CE2 3.83Å; Y83-Y113 HydrophobicContact CE1-CE2 3.83Å; Y83-Y113 AromaticContact CE1-CZ 3.87Å; Y83-Y113 WeakPolarHBondContact CE1-OH 3.46Å; M111-Y113 PolarHBondContact O-N 3.14Å; Y113-D117 WeakPolarHBondContact CD1-OD2 3.25Å
114A43.5Very low49.3Very low50 Ų5086.9 Ų86.941%0.41346%0.463SS..  trans-52.9146.2171.500000108.4P112 S116 D117P112-A114 PolarHBondContact O-N 3.03Å; A114-S116 VanDerWaalsContact CB-OG 3.32Å; A114-S116 WeakPolarHBondContact CB-OG 3.23Å; A114-S116 PolarHBondContact O-N 2.9Å; A114-D117 WeakPolarHBondContact O-CA 3.36Å; A114-D117 WeakPolarHBondContact O-CB 3.21Å; A114-D117 PolarHBondContact O-N 2.98Å
115E42.3Very low48.9Very low153 Ų15386.3 Ų86.372%0.71546%0.457SS*.THydrogen-bonded Turntrans-54-23.9174.2-75.6-179.7167.700112.3K118E115-K118 WeakPolarHBondContact O-CG 3.25Å
116S36.7Very low48.5Very low104 Ų10487.1 Ų87.173%0.72746%0.462SS*.THydrogen-bonded Turntrans-73.6-25.9173.6580000114.1A114 K118A114-S116 VanDerWaalsContact CB-OG 3.32Å; A114-S116 WeakPolarHBondContact CB-OG 3.23Å; A114-S116 PolarHBondContact O-N 2.9Å; S116-K118 PolarHBondContact O-N 2.69Å
117D40.2Very low48.1Very low60 Ų6094.2 Ų94.232%0.32148%0.481SS..  trans-82.464.9177.5-15712.9000108.8Y113 A114 R119Y113-D117 WeakPolarHBondContact CD1-OD2 3.25Å; A114-D117 WeakPolarHBondContact O-CA 3.36Å; A114-D117 WeakPolarHBondContact O-CB 3.21Å; A114-D117 PolarHBondContact O-N 2.98Å; D117-R119 PolarHBondContact O-N 3.28Å; D117-R119 WeakPolarHBondContact OD1-CD 3.45Å; D117-R119 VanDerWaalsContact OD1-CG 3.25Å; D117-R119 WeakPolarHBondContact OD1-CG 3.46Å; D117-R119 IonicContact OD1-CZ 3.56Å; D117-R119 IonicContact OD1-NE 3.21Å; D117-R119 PolarHBondContact OD1-NE 3.2Å; D117-R119 IonicContact OD2-CZ 2.82Å; D117-R119 IonicContact OD2-NE 3.85Å; D117-R119 PolarHBondContact OD2-NE 3.42Å
118K43.6Very low48.1Very low151 Ų15191 Ų9166%0.65747%0.47SS*.  trans-74.557.4175.9-62.6-176.7-177.4178.60110.4E115 S116 F120E115-K118 WeakPolarHBondContact O-CG 3.25Å; S116-K118 PolarHBondContact O-N 2.69Å; K118-F120 VanDerWaalsContact C-N 3.31Å; K118-F120 HydrophobicContact CB-CE2 4.15Å; K118-F120 HydrophobicContact CB-CZ 4.37Å; K118-F120 WeakPolarHBondContact O-CD2 3.44Å; K118-F120 PolarHBondContact O-N 2.96Å
119R46Very low47.6Very low118 Ų11897.9 Ų97.945%0.44551%0.505SS..  trans-69.198.3168.9-61.9-179.6-176-152.1-0.3106.6Y80 D117 Y121Y80-R119 HydrophobicContact CE1-CB 3.47Å; Y80-R119 VanDerWaalsContact CE1-CB 3.47Å; Y80-R119 HydrophobicContact CE1-CG 3.84Å; Y80-R119 WeakPolarHBondContact OH-CB 3.4Å; Y80-R119 WeakPolarHBondContact OH-CD 3.44Å; Y80-R119 WeakPolarHBondContact OH-CG 3.44Å; D117-R119 PolarHBondContact O-N 3.28Å; D117-R119 WeakPolarHBondContact OD1-CD 3.45Å; D117-R119 VanDerWaalsContact OD1-CG 3.25Å; D117-R119 WeakPolarHBondContact OD1-CG 3.46Å; D117-R119 IonicContact OD1-CZ 3.56Å; D117-R119 IonicContact OD1-NE 3.21Å; D117-R119 PolarHBondContact OD1-NE 3.2Å; D117-R119 IonicContact OD2-CZ 2.82Å; D117-R119 IonicContact OD2-NE 3.85Å; D117-R119 PolarHBondContact OD2-NE 3.42Å; R119-Y121 PolarHBondContact O-N 3.24Å
120F38.7Very low47.5Very low159 Ų15996.8 Ų96.870%0.69750%0.495SS*.  trans-63.699.5-180-67.4-87.3000108.7K118 D122K118-F120 VanDerWaalsContact C-N 3.31Å; K118-F120 HydrophobicContact CB-CE2 4.15Å; K118-F120 HydrophobicContact CB-CZ 4.37Å; K118-F120 WeakPolarHBondContact O-CD2 3.44Å; K118-F120 PolarHBondContact O-N 2.96Å; F120-D122 PolarHBondContact O-N 3.07Å
121Y48.7Very low47.1Very low61 Ų61101.4 Ų101.424%0.23953%0.525CS..  trans-74.2109.5160.9-176.6-81.7000105.8E84 R119 G123 T124 L126E84-Y121 HydrophobicContact CG-CE2 4.41Å; E84-Y121 WeakPolarHBondContact OE1-CE2 3.47Å; E84-Y121 VanDerWaalsContact OE1-CZ 3.29Å; E84-Y121 PolarHBondContact OE1-OH 3.39Å; R119-Y121 PolarHBondContact O-N 3.24Å; Y121-G123 CarbonylContact O-C 3.57Å; Y121-G123 VanDerWaalsContact O-CA 3.26Å; Y121-G123 WeakPolarHBondContact O-CA 3.46Å; Y121-G123 PolarHBondContact O-N 3.37Å; Y121-T124 VanDerWaalsContact CB-O 3.3Å; Y121-T124 WeakPolarHBondContact CB-O 3.14Å; Y121-T124 WeakPolarHBondContact CD1-O 3.26Å; Y121-T124 WeakPolarHBondContact CD1-OG1 3.04Å; Y121-T124 WeakPolarHBondContact CE1-OG1 3.42Å; Y121-T124 PolarHBondContact O-N 2.9Å; Y121-L126 HydrophobicContact CD1-CG 4.44Å; Y121-L126 HydrophobicContact CD2-CD1 4.04Å; Y121-L126 HydrophobicContact CD2-CD2 4.42Å; Y121-L126 HydrophobicContact CD2-CG 3.99Å; Y121-L126 HydrophobicContact CE1-CD2 3.94Å; Y121-L126 HydrophobicContact CE1-CG 4.3Å; Y121-L126 HydrophobicContact CE2-CD1 3.88Å; Y121-L126 HydrophobicContact CE2-CD2 3.81Å; Y121-L126 HydrophobicContact CE2-CG 3.85Å; Y121-L126 HydrophobicContact CG-CG 4.28Å
122D46.1Very low47.1Very low59 Ų59102.7 Ų102.732%0.31653%0.529SS..SBendtrans28.418.2173.378.12.7000120F120 T124F120-D122 PolarHBondContact O-N 3.07Å; D122-T124 WeakPolarHBondContact OD1-CA 3.13Å; D122-T124 VanDerWaalsContact OD1-CB 3.29Å; D122-T124 WeakPolarHBondContact OD1-CB 3.32Å; D122-T124 PolarHBondContact OD1-N 3.36Å; D122-T124 PolarHBondContact OD1-OG1 2.85Å
123G44.3Very low47.5Very low69 Ų6999.9 Ų99.971%0.71151%0.511SS*.SBendtrans83.5-19.4-15800000116.8Y121Y121-G123 CarbonylContact O-C 3.57Å; Y121-G123 VanDerWaalsContact O-CA 3.26Å; Y121-G123 WeakPolarHBondContact O-CA 3.46Å; Y121-G123 PolarHBondContact O-N 3.37Å
124T40.9Very low48.1Very low81 Ų8198.4 Ų98.450%0.49751%0.509SS..  trans-95.2127.6-177.962.90000114.6Y121 D122 L126Y121-T124 VanDerWaalsContact CB-O 3.3Å; Y121-T124 WeakPolarHBondContact CB-O 3.14Å; Y121-T124 WeakPolarHBondContact CD1-O 3.26Å; Y121-T124 WeakPolarHBondContact CD1-OG1 3.04Å; Y121-T124 WeakPolarHBondContact CE1-OG1 3.42Å; Y121-T124 PolarHBondContact O-N 2.9Å; D122-T124 WeakPolarHBondContact OD1-CA 3.13Å; D122-T124 VanDerWaalsContact OD1-CB 3.29Å; D122-T124 WeakPolarHBondContact OD1-CB 3.32Å; D122-T124 PolarHBondContact OD1-N 3.36Å; D122-T124 PolarHBondContact OD1-OG1 2.85Å; T124-L126 PolarHBondContact O-N 3.3Å
125T48.6Very low48.6Very low99 Ų9998.9 Ų98.961%0.60750%0.502SS*.  trans-76.7112.8170.6-58.50000108.6R127T125-R127 WeakPolarHBondContact O-CG 3.36Å; T125-R127 PolarHBondContact O-N 2.96Å
126L49.9Very low49.1Very low64 Ų6496.1 Ų96.134%0.33550%0.495SS..  trans-48.8127.6168.8-71.6176.3000109.2R110 Y121 T124R110-L126 PolarHBondContact NH1-O 3.47Å; R110-L126 PolarHBondContact NH2-O 2.86Å; Y121-L126 HydrophobicContact CD1-CG 4.44Å; Y121-L126 HydrophobicContact CD2-CD1 4.04Å; Y121-L126 HydrophobicContact CD2-CD2 4.42Å; Y121-L126 HydrophobicContact CD2-CG 3.99Å; Y121-L126 HydrophobicContact CE1-CD2 3.94Å; Y121-L126 HydrophobicContact CE1-CG 4.3Å; Y121-L126 HydrophobicContact CE2-CD1 3.88Å; Y121-L126 HydrophobicContact CE2-CD2 3.81Å; Y121-L126 HydrophobicContact CE2-CG 3.85Å; Y121-L126 HydrophobicContact CG-CG 4.28Å; T124-L126 PolarHBondContact O-N 3.3Å
127R51.2Low50.1Low206 Ų20694.9 Ų94.978%0.77748%0.477SS*.  trans-111.5135.5175.6-62.3-173.3-176.5-161.10.6109T125 L129T125-R127 WeakPolarHBondContact O-CG 3.36Å; T125-R127 PolarHBondContact O-N 2.96Å; R127-L129 PolarHBondContact O-N 3.29Å
128C58.6Low51.4Low43 Ų4395.7 Ų95.729%0.29148%0.481SS..  trans-67.8115.3168.7178.90000107.2C108 W130 C133C108-C128 VanDerWaalsContact SG-SG 3.61Å; C128-W130 VanDerWaalsContact C-N 3.31Å; C128-C133 HydrophobicContact CB-CB 4.02Å; C128-C133 WeakPolarHBondContact CB-SG 3.42Å; C128-C133 WeakPolarHBondContact SG-CB 3.25Å; C128-C133 CovalentContact SG-SG 2.06Å; C128-C133 PolarHBondContact SG-SG 3.06Å
129L52.8Low52.8Low159 Ų15991.2 Ų91.283%0.83246%0.46SS*.  trans-92.414.2179.4-63-179.3000113R127 L131R127-L129 PolarHBondContact O-N 3.29Å; L129-L131 PolarHBondContact O-N 3.46Å
130W57.9Low54.3Low64 Ų6486.1 Ų86.124%0.24244%0.442CS..  trans-65.7126.2173.8-65.711.8000108V94 L105 P106 C128 E132 C133V94-W130 HydrophobicContact CG1-CH2 4.27Å; L105-W130 HydrophobicContact CB-CE3 3.53Å; L105-W130 HydrophobicContact CB-CZ3 3.5Å; L105-W130 HydrophobicContact CD1-CB 4.01Å; L105-W130 HydrophobicContact CD1-CD2 3.96Å; L105-W130 HydrophobicContact CD1-CE3 3.62Å; L105-W130 HydrophobicContact CD1-CG 4.18Å; L105-W130 HydrophobicContact CD1-CZ3 4.34Å; L105-W130 HydrophobicContact CD2-CE3 4.11Å; L105-W130 HydrophobicContact CD2-CH2 4.39Å; L105-W130 HydrophobicContact CD2-CZ3 4.05Å; L105-W130 HydrophobicContact CG-CE3 3.96Å; L105-W130 HydrophobicContact CG-CZ3 4.18Å; P106-W130 HydrophobicContact CG-CH2 4.05Å; P106-W130 HydrophobicContact CG-CZ3 4.25Å; P106-W130 VanDerWaalsContact O-CZ3 3.29Å; P106-W130 WeakPolarHBondContact O-CZ3 3.49Å; C128-W130 VanDerWaalsContact C-N 3.31Å; W130-E132 PolarHBondContact O-N 2.79Å; W130-C133 HydrophobicContact CB-CB 3.83Å; W130-C133 PolarHBondContact O-N 3.02Å
131L51.2Low56.2Low175 Ų17578.5 Ų78.592%0.91641%0.408SS*.THydrogen-bonded Turntrans-49.8-36.8-178.5-171.269.1000111.3L129L129-L131 PolarHBondContact O-N 3.46Å
132E52.8Low57.6Low132 Ų13280.2 Ų80.262%0.61742%0.418SS*.THydrogen-bonded Turntrans-122.649.1176.9-57.9-167.1160.500112.5W130 N134W130-E132 PolarHBondContact O-N 2.79Å; E132-N134 PolarHBondContact O-N 3.19Å; E132-N134 VanDerWaalsContact O-N 3.12Å
133C58.5Low59.1Low9 Ų981 Ų816%0.06143%0.425CS..  trans-60.5116.1177.7-159.70000111.5C108 C128 W130 K135 T136C108-C133 VanDerWaalsContact CB-SG 3.55Å; C108-C133 PolarHBondContact SG-SG 3.14Å; C128-C133 HydrophobicContact CB-CB 4.02Å; C128-C133 WeakPolarHBondContact CB-SG 3.42Å; C128-C133 WeakPolarHBondContact SG-CB 3.25Å; C128-C133 CovalentContact SG-SG 2.06Å; C128-C133 PolarHBondContact SG-SG 3.06Å; W130-C133 HydrophobicContact CB-CB 3.83Å; W130-C133 PolarHBondContact O-N 3.02Å; C133-K135 PolarHBondContact O-N 2.91Å; C133-T136 PolarHBondContact O-N 3.22Å; C133-T136 VanDerWaalsContact O-N 3.17Å; C133-T136 PolarHBondContact O-OG1 3.24Å
134N57.3Low60.7Low50 Ų5080.9 Ų80.927%0.26741%0.413SS..G310 helixtrans-59.4-9-178.9-160.523000114.1E132 K137E132-N134 PolarHBondContact O-N 3.19Å; E132-N134 VanDerWaalsContact O-N 3.12Å; N134-K137 VanDerWaalsContact O-CB 3.22Å; N134-K137 WeakPolarHBondContact O-CB 3.49Å; N134-K137 WeakPolarHBondContact O-CG 3.48Å; N134-K137 PolarHBondContact O-N 2.93Å; N134-K137 VanDerWaalsContact O-N 3.15Å; N134-K137 WeakPolarHBondContact OD1-CD 3.39Å; N134-K137 WeakPolarHBondContact OD1-CE 3.2Å; N134-K137 PolarHBondContact OD1-NZ 2.98Å
135K54.3Low62.1Low61 Ų6179.1 Ų79.127%0.26541%0.41SS..G310 helixtrans-80.9-5.9177.3-100.4-169171.5-151.40116.1C108 R110 M111 C133 K137C108-K135 HydrophobicContact CB-CB 4.09Å; C108-K135 HydrophobicContact CB-CD 4.05Å; C108-K135 HydrophobicContact CB-CG 3.9Å; R110-K135 HydrophobicContact CB-CD 4.07Å; R110-K135 WeakPolarHBondContact O-CE 3.48Å; R110-K135 PolarHBondContact O-NZ 3.27Å; M111-K135 PolarHBondContact O-NZ 3.33Å; C133-K135 PolarHBondContact O-N 2.91Å; K135-K137 PolarHBondContact O-N 3.36Å
136T52.5Low63.2Low95 Ų9581.5 Ų81.558%0.58341%0.409SS*.G310 helixtrans-66.5-17.6160.554.40000110.9C133 L138 D149C133-T136 PolarHBondContact O-N 3.22Å; C133-T136 VanDerWaalsContact O-N 3.17Å; C133-T136 PolarHBondContact O-OG1 3.24Å; T136-L138 PolarHBondContact O-N 2.98Å; T136-D149 WeakPolarHBondContact O-CA 3.49Å
137K58.4Low64.4Low78 Ų7881.8 Ų81.834%0.33941%0.406SS..  trans-81.773.1178.4-50.5-165.1-161.41620113.4N134 K135 Y139 R147 F148 D149N134-K137 VanDerWaalsContact O-CB 3.22Å; N134-K137 WeakPolarHBondContact O-CB 3.49Å; N134-K137 WeakPolarHBondContact O-CG 3.48Å; N134-K137 PolarHBondContact O-N 2.93Å; N134-K137 VanDerWaalsContact O-N 3.15Å; N134-K137 WeakPolarHBondContact OD1-CD 3.39Å; N134-K137 WeakPolarHBondContact OD1-CE 3.2Å; N134-K137 PolarHBondContact OD1-NZ 2.98Å; K135-K137 PolarHBondContact O-N 3.36Å; K137-Y139 VanDerWaalsContact C-N 3.33Å; K137-R147 HydrophobicContact CB-CB 4.06Å; K137-R147 WeakPolarHBondContact CD-O 3.5Å; K137-F148 CarbonylContact C-O 3.32Å; K137-F148 WeakPolarHBondContact CA-O 3.37Å; K137-F148 WeakPolarHBondContact CB-O 3.44Å; K137-D149 HydrophobicContact CG-CB 4.21Å
138L67.1Low65.3Low77 Ų7773 Ų7340%0.40337%0.374SS..  trans-79.5-9.8-178.3-63.1174.7000114.2T136 F148 Y183T136-L138 PolarHBondContact O-N 2.98Å; L138-F148 PolarHBondContact N-O 3.35Å; L138-Y183 HydrophobicContact CB-CD2 3.91Å; L138-Y183 HydrophobicContact CB-CE2 4.42Å; L138-Y183 HydrophobicContact CD1-CE2 4.33Å; L138-Y183 PolarHBondContact O-N 3.18Å
139Y72.9Confident65.8Low57 Ų5773.9 Ų73.922%0.22438%0.375CS..EExtended strand (participates in β ladder)trans-103.6117.1-174.9-64.4-91.7000111.1K137 R147 F148 G151 Y175 Y183K137-Y139 VanDerWaalsContact C-N 3.33Å; Y139-R147 CarbonylContact O-C 3.45Å; Y139-R147 WeakPolarHBondContact O-CA 3.5Å; Y139-F148 WeakPolarHBondContact CB-O 3.5Å; Y139-F148 PolarHBondContact N-O 3.02Å; Y139-F148 PolarHBondContact O-N 2.87Å; Y139-G151 VanDerWaalsContact CD1-CA 3.4Å; Y139-G151 VanDerWaalsContact CD2-N 3.34Å; Y139-Y175 HydrophobicContact CD1-CD1 4.18Å; Y139-Y175 HydrophobicContact CD1-CD2 4.16Å; Y139-Y175 AromaticContact CD1-CG 3.98Å; Y139-Y175 HydrophobicContact CD1-CG 3.98Å; Y139-Y175 AromaticContact CE1-CD2 3.79Å; Y139-Y175 HydrophobicContact CE1-CD2 3.79Å; Y139-Y175 HydrophobicContact CE1-CE2 4.38Å; Y139-Y175 AromaticContact CE1-CG 3.86Å; Y139-Y175 HydrophobicContact CE1-CG 3.86Å; Y139-Y183 WeakPolarHBondContact CA-O 3.43Å; Y139-Y183 HydrophobicContact CD1-CG 4.37Å; Y139-Y183 HydrophobicContact CE1-CG 4.09Å
140D78.1Confident66.7Low10 Ų1072.2 Ų72.25%0.05336%0.361CS..EExtended strand (participates in β ladder)trans-112.9134.2-171.8-179.467.3000111.9H142 R147 L154 F182 Y183 R184D140-H142 PolarHBondContact O-N 3.07Å; D140-R147 HydrophobicContact CB-CG 4.48Å; D140-R147 WeakPolarHBondContact OD1-CG 3.47Å; D140-R147 IonicContact OD1-NE 3.52Å; D140-L154 WeakPolarHBondContact O-CD2 3.19Å; D140-F182 HydrophobicContact CB-CB 3.75Å; D140-F182 HydrophobicContact CB-CD1 4.13Å; D140-F182 HydrophobicContact CB-CG 4.04Å; D140-Y183 PolarHBondContact N-O 3.38Å; D140-R184 HydrophobicContact CB-CG 4.26Å; D140-R184 IonicContact OD2-CZ 3.27Å; D140-R184 VanDerWaalsContact OD2-CZ 3.27Å; D140-R184 IonicContact OD2-NE 2.8Å; D140-R184 PolarHBondContact OD2-NE 3.23Å; D140-R184 IonicContact OD2-NH2 2.74Å; D140-R184 PolarHBondContact OD2-NH2 2.89Å
141C78.6Confident67.5Low0 Ų069.6 Ų69.60%035%0.354CS..  trans-80.9109.9171.9-175.90000110.4V143 C144 G145 Y146 L154 H157 H162C141-V143 PolarHBondContact O-N 3.35Å; C141-C144 PolarHBondContact O-N 3.09Å; C141-C144 VanDerWaalsContact SG-SG 3.62Å; C141-G145 VanDerWaalsContact O-CA 3.23Å; C141-G145 WeakPolarHBondContact O-CA 3.38Å; C141-G145 PolarHBondContact O-N 2.6Å; C141-Y146 WeakPolarHBondContact CB-O 3.32Å; C141-Y146 PolarHBondContact N-O 3.14Å; C141-L154 HydrophobicContact CB-CD1 3.73Å; C141-H157 VanDerWaalsContact SG-CD2 3.6Å; C141-H157 PolarHBondContact SG-NE2 2.54Å; C141-H162 VanDerWaalsContact SG-CD2 3.52Å; C141-H162 PolarHBondContact SG-NE2 3.17Å
142H78.4Confident68.8Low96 Ų9667.8 Ų67.844%0.44434%0.344SS..THydrogen-bonded Turntrans-63.6-11.7177.267.3-77.2000115.1D140D140-H142 PolarHBondContact O-N 3.07Å
143V77.5Confident70.1Confident75 Ų7565.1 Ų65.146%0.45533%0.332SS..THydrogen-bonded Turntrans-90.5-44.3-178.7-174.70000111.5C141 L158 M164C141-V143 PolarHBondContact O-N 3.35Å; V143-L158 HydrophobicContact CG2-CD2 4.45Å; V143-M164 HydrophobicContact CG2-CE 3.59Å
144C76.4Confident71.2Confident68 Ų6864.7 Ų64.746%0.45933%0.329SS..THydrogen-bonded Turntrans-121.9-4.7-175.466.30000114.8C141 Y146 H157 H162C141-C144 PolarHBondContact O-N 3.09Å; C141-C144 VanDerWaalsContact SG-SG 3.62Å; C144-Y146 VanDerWaalsContact C-N 3.27Å; C144-Y146 PolarHBondContact O-N 3.38Å; C144-Y146 VanDerWaalsContact SG-CB 3.56Å; C144-H157 PolarHBondContact SG-CE1 2.86Å; C144-H157 PolarHBondContact SG-NE2 3.46Å; C144-H162 PolarHBondContact SG-NE2 3.17Å; C144-H162 VanDerWaalsContact SG-NE2 3.36Å
145G70.7Confident72.3Confident43 Ų4362.6 Ų62.644%0.44332%0.318SS..  trans75.47.4-177.900000115.1C141C141-G145 VanDerWaalsContact O-CA 3.23Å; C141-G145 WeakPolarHBondContact O-CA 3.38Å; C141-G145 PolarHBondContact O-N 2.6Å
146Y72.6Confident73.6Confident149 Ų14962 Ų6258%0.58432%0.324SS*.  trans-72.4139.6178.4-151.5-89.7000111.4C141 C144 F148C141-Y146 WeakPolarHBondContact CB-O 3.32Å; C141-Y146 PolarHBondContact N-O 3.14Å; C144-Y146 VanDerWaalsContact C-N 3.27Å; C144-Y146 PolarHBondContact O-N 3.38Å; C144-Y146 VanDerWaalsContact SG-CB 3.56Å; Y146-F148 AromaticContact CD1-CE1 3.78Å; Y146-F148 HydrophobicContact CD1-CE1 3.78Å; Y146-F148 AromaticContact CD1-CE2 3.86Å; Y146-F148 HydrophobicContact CD1-CE2 3.86Å; Y146-F148 AromaticContact CD1-CZ 3.39Å; Y146-F148 HydrophobicContact CD1-CZ 3.39Å; Y146-F148 HydrophobicContact CE1-CE1 4.01Å; Y146-F148 HydrophobicContact CE1-CZ 4.07Å; Y146-F148 HydrophobicContact CG-CZ 4.31Å
147R75.4Confident75.1Confident70 Ų7058.9 Ų58.926%0.26430%0.303SS..EExtended strand (participates in β ladder)trans-117144.9-170.3-61.3179.9-171.8160.50.6113.2E107 K137 Y139 D140E107-R147 IonicContact OE1-CZ 3.96Å; E107-R147 IonicContact OE1-NH1 3.93Å; E107-R147 PolarHBondContact OE1-NH1 3.26Å; E107-R147 IonicContact OE1-NH2 3.86Å; E107-R147 PolarHBondContact OE1-NH2 2.91Å; K137-R147 HydrophobicContact CB-CB 4.06Å; K137-R147 WeakPolarHBondContact CD-O 3.5Å; Y139-R147 CarbonylContact O-C 3.45Å; Y139-R147 WeakPolarHBondContact O-CA 3.5Å; D140-R147 HydrophobicContact CB-CG 4.48Å; D140-R147 WeakPolarHBondContact OD1-CG 3.47Å; D140-R147 IonicContact OD1-NE 3.52Å
148F70Confident76.2Confident23 Ų2355.2 Ų55.210%0.10129%0.287CS..EExtended strand (participates in β ladder)trans-134.9147.5-172.3-59.4-80.7000112K137 L138 Y139 Y146 Q153 L154 H157K137-F148 CarbonylContact C-O 3.32Å; K137-F148 WeakPolarHBondContact CA-O 3.37Å; K137-F148 WeakPolarHBondContact CB-O 3.44Å; L138-F148 PolarHBondContact N-O 3.35Å; Y139-F148 WeakPolarHBondContact CB-O 3.5Å; Y139-F148 PolarHBondContact N-O 3.02Å; Y139-F148 PolarHBondContact O-N 2.87Å; Y146-F148 AromaticContact CD1-CE1 3.78Å; Y146-F148 HydrophobicContact CD1-CE1 3.78Å; Y146-F148 AromaticContact CD1-CE2 3.86Å; Y146-F148 HydrophobicContact CD1-CE2 3.86Å; Y146-F148 AromaticContact CD1-CZ 3.39Å; Y146-F148 HydrophobicContact CD1-CZ 3.39Å; Y146-F148 HydrophobicContact CE1-CE1 4.01Å; Y146-F148 HydrophobicContact CE1-CZ 4.07Å; Y146-F148 HydrophobicContact CG-CZ 4.31Å; F148-Q153 HydrophobicContact CB-CB 3.97Å; F148-Q153 HydrophobicContact CD1-CB 3.46Å; F148-Q153 VanDerWaalsContact CD1-CB 3.46Å; F148-Q153 HydrophobicContact CD1-CG 4.45Å; F148-Q153 HydrophobicContact CE1-CB 4.2Å; F148-Q153 HydrophobicContact CG-CB 3.9Å; F148-L154 HydrophobicContact CB-CB 4.45Å; F148-L154 HydrophobicContact CD2-CB 3.82Å; F148-L154 HydrophobicContact CD2-CD1 3.88Å; F148-L154 HydrophobicContact CD2-CG 4.44Å; F148-L154 HydrophobicContact CE2-CB 4.47Å; F148-L154 HydrophobicContact CE2-CD1 3.94Å; F148-L154 HydrophobicContact CG-CB 4.32Å; F148-H157 HydrophobicContact CE1-CB 4.04Å; F148-H157 HydrophobicContact CE2-CB 3.76Å; F148-H157 AromaticContact CE2-CD2 3.66Å; F148-H157 AromaticContact CE2-CG 3.67Å; F148-H157 HydrophobicContact CZ-CB 3.28Å; F148-H157 AromaticContact CZ-CD2 3.81Å; F148-H157 AromaticContact CZ-CG 3.32Å; F148-H157 AromaticContact CZ-ND1 3.76Å
149D67.9Low77Confident61 Ų6155.3 Ų55.333%0.32629%0.285SS..SBendtrans-78.1-23.6175.672.8-22.4000112.8T136 K137 Q153T136-D149 WeakPolarHBondContact O-CA 3.49Å; K137-D149 HydrophobicContact CG-CB 4.21Å; D149-Q153 PolarHBondContact OD1-NE2 2.97Å; D149-Q153 PolarHBondContact OD1-OE1 2.74Å
150K72.6Confident77.6Confident123 Ų12357 Ų5754%0.53531%0.305SS..SBendtrans-128.2136.7-177.2-66.5167-168.9175.20111I152 Q153 L154K150-I152 PolarHBondContact O-N 2.84Å; K150-I152 VanDerWaalsContact O-N 3.11Å; K150-Q153 HydrophobicContact CB-CG 4.34Å; K150-Q153 WeakPolarHBondContact O-CB 3.17Å; K150-Q153 PolarHBondContact O-N 3.2Å; K150-L154 PolarHBondContact O-N 3.48Å
151G75.4Confident77.7Confident9 Ų958.9 Ų58.99%0.09332%0.322CS..Hα-helixtrans-58.8-25.7174.300000113.5Y139 L154 T155 Y175Y139-G151 VanDerWaalsContact CD1-CA 3.4Å; Y139-G151 VanDerWaalsContact CD2-N 3.34Å; G151-L154 PolarHBondContact O-N 3.07Å; G151-T155 PolarHBondContact O-N 3.47Å; G151-T155 PolarHBondContact O-OG1 3.37Å; G151-Y175 VanDerWaalsContact O-CZ 3.28Å; G151-Y175 PolarHBondContact O-OH 3.21Å
152I78.6Confident78Confident138 Ų13860.7 Ų60.771%0.70833%0.331SS*.Hα-helixtrans-64.4-41.6175.6-62.2175.4000111.1K150 T155 A156K150-I152 PolarHBondContact O-N 2.84Å; K150-I152 VanDerWaalsContact O-N 3.11Å; I152-T155 WeakPolarHBondContact O-CB 3.43Å; I152-T155 PolarHBondContact O-N 2.95Å; I152-A156 PolarHBondContact O-N 2.82Å
153Q80Confident77.9Confident76 Ų7656.6 Ų56.636%0.35531%0.314SS..Hα-helixtrans-65.9-41.4177.9-65.3168-1000111F148 D149 K150 T155 A156 H157F148-Q153 HydrophobicContact CB-CB 3.97Å; F148-Q153 HydrophobicContact CD1-CB 3.46Å; F148-Q153 VanDerWaalsContact CD1-CB 3.46Å; F148-Q153 HydrophobicContact CD1-CG 4.45Å; F148-Q153 HydrophobicContact CE1-CB 4.2Å; F148-Q153 HydrophobicContact CG-CB 3.9Å; D149-Q153 PolarHBondContact OD1-NE2 2.97Å; D149-Q153 PolarHBondContact OD1-OE1 2.74Å; K150-Q153 HydrophobicContact CB-CG 4.34Å; K150-Q153 WeakPolarHBondContact O-CB 3.17Å; K150-Q153 PolarHBondContact O-N 3.2Å; Q153-T155 VanDerWaalsContact C-N 3.32Å; Q153-T155 PolarHBondContact O-N 3.44Å; Q153-A156 PolarHBondContact O-N 2.8Å; Q153-H157 WeakPolarHBondContact O-CB 3.3Å; Q153-H157 PolarHBondContact O-N 2.87Å
154L80.9Confident77.8Confident0 Ų054.4 Ų54.40%030%0.299CS..Hα-helixtrans-60.1-41.2173.7176.958.4000111.6D140 C141 F148 K150 G151 H157 L158 Y175D140-L154 WeakPolarHBondContact O-CD2 3.19Å; C141-L154 HydrophobicContact CB-CD1 3.73Å; F148-L154 HydrophobicContact CB-CB 4.45Å; F148-L154 HydrophobicContact CD2-CB 3.82Å; F148-L154 HydrophobicContact CD2-CD1 3.88Å; F148-L154 HydrophobicContact CD2-CG 4.44Å; F148-L154 HydrophobicContact CE2-CB 4.47Å; F148-L154 HydrophobicContact CE2-CD1 3.94Å; F148-L154 HydrophobicContact CG-CB 4.32Å; K150-L154 PolarHBondContact O-N 3.48Å; G151-L154 PolarHBondContact O-N 3.07Å; L154-H157 PolarHBondContact O-N 3.27Å; L154-L158 HydrophobicContact CD1-CD1 3.92Å; L154-L158 HydrophobicContact CD1-CG 3.97Å; L154-L158 HydrophobicContact CG-CD1 3.9Å; L154-L158 HydrophobicContact CG-CG 4.42Å; L154-L158 WeakPolarHBondContact O-CB 2.96Å; L154-L158 WeakPolarHBondContact O-CD1 3.29Å; L154-L158 WeakPolarHBondContact O-CG 3.17Å; L154-L158 PolarHBondContact O-N 2.78Å; L154-Y175 HydrophobicContact CB-CE1 4.45Å; L154-Y175 HydrophobicContact CD2-CD1 3.98Å; L154-Y175 HydrophobicContact CD2-CE1 3.51Å; L154-Y175 HydrophobicContact CG-CE1 4.02Å
155T80.7Confident77.3Confident6 Ų653 Ų534%0.03729%0.293CS..Hα-helixtrans-60.7-48.2174.1-60.90000110.8G151 I152 Q153 H157 L158 Q159 V173 Y175G151-T155 PolarHBondContact O-N 3.47Å; G151-T155 PolarHBondContact O-OG1 3.37Å; I152-T155 WeakPolarHBondContact O-CB 3.43Å; I152-T155 PolarHBondContact O-N 2.95Å; Q153-T155 VanDerWaalsContact C-N 3.32Å; Q153-T155 PolarHBondContact O-N 3.44Å; T155-H157 VanDerWaalsContact C-N 3.32Å; T155-H157 PolarHBondContact O-N 3.16Å; T155-L158 PolarHBondContact O-N 2.95Å; T155-Q159 HydrophobicContact CG2-CG 4.43Å; T155-Q159 WeakPolarHBondContact O-CG 3.06Å; T155-Q159 PolarHBondContact O-N 2.55Å; T155-V173 HydrophobicContact CG2-CG2 4.12Å; T155-Y175 PolarHBondContact N-OH 3.46Å; T155-Y175 PolarHBondContact OG1-OH 3.33Å
156A82.1Confident76.9Confident48 Ų4856.9 Ų56.940%0.39729%0.294SS..Hα-helixtrans-61.6-42.4-178.100000111.3I152 Q153 Q159 S160I152-A156 PolarHBondContact O-N 2.82Å; Q153-A156 PolarHBondContact O-N 2.8Å; A156-Q159 WeakPolarHBondContact O-CB 3.47Å; A156-Q159 PolarHBondContact O-N 2.55Å; A156-S160 PolarHBondContact O-N 3.41Å; A156-S160 PolarHBondContact O-OG 3.49Å; A156-S160 VanDerWaalsContact O-OG 3.09Å
157H83.8Confident76.1Confident29 Ų2952.1 Ų52.113%0.13428%0.283CS..Hα-helixtrans-63.3-45.8174.916778.1000112.7C141 C144 F148 Q153 L154 T155 Q159 S160 A161 H162C141-H157 VanDerWaalsContact SG-CD2 3.6Å; C141-H157 PolarHBondContact SG-NE2 2.54Å; C144-H157 PolarHBondContact SG-CE1 2.86Å; C144-H157 PolarHBondContact SG-NE2 3.46Å; F148-H157 HydrophobicContact CE1-CB 4.04Å; F148-H157 HydrophobicContact CE2-CB 3.76Å; F148-H157 AromaticContact CE2-CD2 3.66Å; F148-H157 AromaticContact CE2-CG 3.67Å; F148-H157 HydrophobicContact CZ-CB 3.28Å; F148-H157 AromaticContact CZ-CD2 3.81Å; F148-H157 AromaticContact CZ-CG 3.32Å; F148-H157 AromaticContact CZ-ND1 3.76Å; Q153-H157 WeakPolarHBondContact O-CB 3.3Å; Q153-H157 PolarHBondContact O-N 2.87Å; L154-H157 PolarHBondContact O-N 3.27Å; T155-H157 VanDerWaalsContact C-N 3.32Å; T155-H157 PolarHBondContact O-N 3.16Å; H157-Q159 PolarHBondContact O-N 2.67Å; H157-S160 PolarHBondContact O-N 3.27Å; H157-A161 WeakPolarHBondContact O-CA 3.49Å; H157-A161 VanDerWaalsContact O-CB 3.27Å; H157-A161 WeakPolarHBondContact O-CB 3.4Å; H157-A161 PolarHBondContact O-N 3.24Å; H157-H162 AromaticContact CD2-CD2 3.96Å; H157-H162 AromaticContact CE1-NE2 3.61Å; H157-H162 AromaticContact NE2-CD2 3.49Å; H157-H162 PolarHBondContact NE2-CD2 3Å; H157-H162 AromaticContact NE2-NE2 3.08Å; H157-H162 PolarHBondContact NE2-NE2 3.37Å
158L81.6Confident75.2Confident1 Ų157.1 Ų57.11%0.00532%0.315CS..Hα-helixtrans-60.7-33.6176.1-69.7164.4000111.5V143 L154 T155 H162 G163 M164 L185V143-L158 HydrophobicContact CG2-CD2 4.45Å; L154-L158 HydrophobicContact CD1-CD1 3.92Å; L154-L158 HydrophobicContact CD1-CG 3.97Å; L154-L158 HydrophobicContact CG-CD1 3.9Å; L154-L158 HydrophobicContact CG-CG 4.42Å; L154-L158 WeakPolarHBondContact O-CB 2.96Å; L154-L158 WeakPolarHBondContact O-CD1 3.29Å; L154-L158 WeakPolarHBondContact O-CG 3.17Å; L154-L158 PolarHBondContact O-N 2.78Å; T155-L158 PolarHBondContact O-N 2.95Å; L158-H162 CarbonylContact O-C 3.56Å; L158-H162 VanDerWaalsContact O-C 3.32Å; L158-H162 WeakPolarHBondContact O-CA 3.26Å; L158-H162 WeakPolarHBondContact O-CB 3.18Å; L158-H162 PolarHBondContact O-N 2.79Å; L158-G163 PolarHBondContact O-N 3.28Å; L158-M164 HydrophobicContact CB-CB 4.23Å; L158-M164 HydrophobicContact CB-CG 4.46Å; L158-M164 HydrophobicContact CB-SD 4.16Å; L158-M164 HydrophobicContact CD2-CE 4.25Å; L158-M164 HydrophobicContact CD2-SD 3.74Å; L158-M164 HydrophobicContact CG-SD 4.4Å; L158-M164 WeakPolarHBondContact O-CB 3.28Å; L158-M164 PolarHBondContact O-N 3.25Å; L158-L185 HydrophobicContact CD1-CB 4.05Å; L158-L185 HydrophobicContact CD1-CD2 3.85Å; L158-L185 HydrophobicContact CD1-CG 4.49Å
159Q83.7Confident74.4Confident79 Ų7965.3 Ų65.337%0.36935%0.35SS..Hα-helixtrans-71.1-50.1175.3-74.2173.4-3100112.4T155 A156 H157 G163 M164 M190T155-Q159 HydrophobicContact CG2-CG 4.43Å; T155-Q159 WeakPolarHBondContact O-CG 3.06Å; T155-Q159 PolarHBondContact O-N 2.55Å; A156-Q159 WeakPolarHBondContact O-CB 3.47Å; A156-Q159 PolarHBondContact O-N 2.55Å; H157-Q159 PolarHBondContact O-N 2.67Å; Q159-G163 WeakPolarHBondContact O-CA 3.49Å; Q159-G163 PolarHBondContact O-N 3.2Å; Q159-M164 WeakPolarHBondContact CA-O 3.38Å; Q159-M164 WeakPolarHBondContact CG-O 3.09Å; Q159-M190 HydrophobicContact CG-CE 4.16Å
160S85.8Confident73.7Confident92 Ų9265.6 Ų65.664%0.64335%0.351SS*.Hα-helixtrans-78.8-48.1-173.962.10000112.9A156 H157A156-S160 PolarHBondContact O-N 3.41Å; A156-S160 PolarHBondContact O-OG 3.49Å; A156-S160 VanDerWaalsContact O-OG 3.09Å; H157-S160 PolarHBondContact O-N 3.27Å
161A79.9Confident72.9Confident50 Ų5071.9 Ų71.941%0.41337%0.371SS..Hα-helixtrans-86.3-24.9-173.700000113.2H157H157-A161 WeakPolarHBondContact O-CA 3.49Å; H157-A161 VanDerWaalsContact O-CB 3.27Å; H157-A161 WeakPolarHBondContact O-CB 3.4Å; H157-A161 PolarHBondContact O-N 3.24Å
162H83.4Confident72.3Confident39 Ų3981.2 Ų81.218%0.18140%0.404CS..Hα-helixtrans-124.75-174-56.8-50.3000114.1C141 C144 H157 L158 M164 M195C141-H162 VanDerWaalsContact SG-CD2 3.52Å; C141-H162 PolarHBondContact SG-NE2 3.17Å; C144-H162 PolarHBondContact SG-NE2 3.17Å; C144-H162 VanDerWaalsContact SG-NE2 3.36Å; H157-H162 AromaticContact CD2-CD2 3.96Å; H157-H162 AromaticContact CE1-NE2 3.61Å; H157-H162 AromaticContact NE2-CD2 3.49Å; H157-H162 PolarHBondContact NE2-CD2 3Å; H157-H162 AromaticContact NE2-NE2 3.08Å; H157-H162 PolarHBondContact NE2-NE2 3.37Å; L158-H162 CarbonylContact O-C 3.56Å; L158-H162 VanDerWaalsContact O-C 3.32Å; L158-H162 WeakPolarHBondContact O-CA 3.26Å; L158-H162 WeakPolarHBondContact O-CB 3.18Å; L158-H162 PolarHBondContact O-N 2.79Å; H162-M164 HydrophobicContact CB-CE 4.46Å; H162-M164 HydrophobicContact CB-CG 4.2Å; H162-M164 PolarHBondContact O-N 2.82Å; H162-M195 VanDerWaalsContact C-SD 3.54Å
163G77.5Confident71.8Confident9 Ų976 Ų769%0.09338%0.378CS..  trans60.817.8175.400000114.4L158 Q159 A165 M195L158-G163 PolarHBondContact O-N 3.28Å; Q159-G163 WeakPolarHBondContact O-CA 3.49Å; Q159-G163 PolarHBondContact O-N 3.2Å; G163-A165 PolarHBondContact O-N 3.04Å; G163-M195 VanDerWaalsContact CA-CE 3.48Å
164M74.7Confident71.6Confident29 Ų2980.4 Ų80.414%0.14339%0.392CS..EExtended strand (participates in β ladder)trans-74116.1179.6-63.8-166.8178.100108V143 L158 Q159 H162 L185 M190V143-M164 HydrophobicContact CG2-CE 3.59Å; L158-M164 HydrophobicContact CB-CB 4.23Å; L158-M164 HydrophobicContact CB-CG 4.46Å; L158-M164 HydrophobicContact CB-SD 4.16Å; L158-M164 HydrophobicContact CD2-CE 4.25Å; L158-M164 HydrophobicContact CD2-SD 3.74Å; L158-M164 HydrophobicContact CG-SD 4.4Å; L158-M164 WeakPolarHBondContact O-CB 3.28Å; L158-M164 PolarHBondContact O-N 3.25Å; Q159-M164 WeakPolarHBondContact CA-O 3.38Å; Q159-M164 WeakPolarHBondContact CG-O 3.09Å; H162-M164 HydrophobicContact CB-CE 4.46Å; H162-M164 HydrophobicContact CB-CG 4.2Å; H162-M164 PolarHBondContact O-N 2.82Å; M164-L185 HydrophobicContact SD-CD2 4.44Å; M164-M190 HydrophobicContact CB-CB 4.12Å; M164-M190 HydrophobicContact CB-CE 3.56Å; M164-M190 HydrophobicContact CB-SD 4.23Å; M164-M190 WeakPolarHBondContact O-CE 3.39Å
165A65.8Low71.6Confident39 Ų3982.7 Ų82.732%0.32240%0.401SS..EExtended strand (participates in β ladder)trans-95.3144.7175.100000111.7G163 S167 M190 L193G163-A165 PolarHBondContact O-N 3.04Å; A165-S167 PolarHBondContact O-N 3.37Å; A165-M190 WeakPolarHBondContact O-CB 3.28Å; A165-M190 WeakPolarHBondContact O-CE 3.39Å; A165-M190 WeakPolarHBondContact O-CG 3.37Å; A165-L193 HydrophobicContact CB-CD1 3.61Å; A165-L193 HydrophobicContact CB-CG 4.43Å
166R62.3Low71.5Confident125 Ų12589 Ų8947%0.47243%0.427SS..EExtended strand (participates in β ladder)trans-63.5130.2173.6-76.5178.9172.2177.2-1.6108.7N168 V173 M190R166-N168 PolarHBondContact O-N 2.81Å; R166-V173 HydrophobicContact CG-CG2 4.29Å; R166-M190 HydrophobicContact CG-CE 4.32Å
167S56.7Low70.9Confident49 Ų4989.3 Ų89.334%0.34342%0.422SS..PPolyproline II helixtrans-61.6119.1162.41670000109A165 K169 L170 R189A165-S167 PolarHBondContact O-N 3.37Å; S167-K169 PolarHBondContact O-N 3.3Å; S167-L170 PolarHBondContact O-N 3.16Å; S167-R189 WeakPolarHBondContact CB-O 3.39Å
168N55.6Low70.3Confident175 Ų17589.9 Ų89.994%0.93643%0.429SS*.THydrogen-bonded Turntrans-52.4-17.2-178.8-100.3-18.4000114.2R166R166-N168 PolarHBondContact O-N 2.81Å
169K54.4Low69.4Low195 Ų19596.1 Ų96.185%0.84847%0.473SS*.THydrogen-bonded Turntrans-81.8-8.1-179.2-63.6-171.7178.8-176.70114.2S167S167-K169 PolarHBondContact O-N 3.3Å
170L52.8Low68.4Low66 Ų6695.2 Ų95.235%0.34647%0.47SS..  trans-125107-174-66171000112S167 R172 R189S167-L170 PolarHBondContact O-N 3.16Å; L170-R172 PolarHBondContact O-N 2.77Å; L170-R172 VanDerWaalsContact O-N 3.14Å; L170-R189 HydrophobicContact CD1-CB 4.04Å; L170-R189 VanDerWaalsContact CD1-CD 3.43Å; L170-R189 HydrophobicContact CD1-CG 3.52Å
171R55.7Low67.3Low255 Ų25592 Ų9296%0.96245%0.453SS*.SBendtrans-61.4-20.1178.9-69.6-172.9178.2-170.3-0.5114.2
172R63.4Low66.8Low206 Ų20691.3 Ų91.378%0.77744%0.44SS*.SBendtrans-140.8126-175.7-154.1178.5-70.3-178.4-1.4112.2L170L170-R172 PolarHBondContact O-N 2.77Å; L170-R172 VanDerWaalsContact O-N 3.14Å
173V68.3Low66.4Low28 Ų2892.8 Ų92.817%0.1745%0.445CS..  trans-68.1135.3170-176.50000108.5T155 R166 Y175 L185T155-V173 HydrophobicContact CG2-CG2 4.12Å; R166-V173 HydrophobicContact CG-CG2 4.29Å; V173-Y175 HydrophobicContact CG1-CE1 4.27Å; V173-Y175 HydrophobicContact CG1-CE2 4.17Å; V173-L185 HydrophobicContact CG1-CD1 3.14Å
174R75Confident66.6Low168 Ų16894.7 Ų94.763%0.63445%0.449SS*.  trans-111.7134.7177.7-75.7-172-179.1180-0.5110.1V186R174-V186 PolarHBondContact O-N 2.93Å
175Y80.1Confident66.7Low48 Ų4894.1 Ų94.119%0.18845%0.447CS..EExtended strand (participates in β ladder)trans-106.6141.9174.2-62-72.9000109.6Y139 G151 L154 T155 V173 R184 L185Y139-Y175 HydrophobicContact CD1-CD1 4.18Å; Y139-Y175 HydrophobicContact CD1-CD2 4.16Å; Y139-Y175 AromaticContact CD1-CG 3.98Å; Y139-Y175 HydrophobicContact CD1-CG 3.98Å; Y139-Y175 AromaticContact CE1-CD2 3.79Å; Y139-Y175 HydrophobicContact CE1-CD2 3.79Å; Y139-Y175 HydrophobicContact CE1-CE2 4.38Å; Y139-Y175 AromaticContact CE1-CG 3.86Å; Y139-Y175 HydrophobicContact CE1-CG 3.86Å; G151-Y175 VanDerWaalsContact O-CZ 3.28Å; G151-Y175 PolarHBondContact O-OH 3.21Å; L154-Y175 HydrophobicContact CB-CE1 4.45Å; L154-Y175 HydrophobicContact CD2-CD1 3.98Å; L154-Y175 HydrophobicContact CD2-CE1 3.51Å; L154-Y175 HydrophobicContact CG-CE1 4.02Å; T155-Y175 PolarHBondContact N-OH 3.46Å; T155-Y175 PolarHBondContact OG1-OH 3.33Å; V173-Y175 HydrophobicContact CG1-CE1 4.27Å; V173-Y175 HydrophobicContact CG1-CE2 4.17Å; Y175-R184 WeakPolarHBondContact CA-O 3.49Å; Y175-L185 HydrophobicContact CE1-CB 4.29Å; Y175-L185 HydrophobicContact CE1-CD1 4.3Å
176K78.1Confident67.1Low138 Ų13894.7 Ų94.760%0.645%0.446SS*.EExtended strand (participates in β ladder)trans-115.4136174.4178.1179.9177.3-174.80108.8C178 Y183 R184 V186K176-C178 PolarHBondContact O-N 3.02Å; K176-Y183 WeakPolarHBondContact O-CA 3.32Å; K176-R184 PolarHBondContact N-O 2.89Å; K176-R184 PolarHBondContact O-N 3.38Å; K176-V186 HydrophobicContact CB-CG2 3.61Å
177L71.1Confident66.9Low55 Ų5591.8 Ų91.829%0.28845%0.454SS..EExtended strand (participates in β ladder)trans-70.2118.8168.2-173.162.1000109.2G181 Y183L177-G181 VanDerWaalsContact CD1-C 3.41Å; L177-G181 WeakPolarHBondContact CD1-O 3.32Å; L177-Y183 HydrophobicContact CB-CD1 4.23Å; L177-Y183 HydrophobicContact CB-CE1 3.91Å; L177-Y183 HydrophobicContact CD1-CD2 4Å; L177-Y183 HydrophobicContact CD1-CE2 3.83Å; L177-Y183 HydrophobicContact CD1-CG 4.42Å
178C71.4Confident66.5Low42 Ų4294.3 Ų94.328%0.28447%0.472SS..  trans-84.3167175.5-72.10000111.2K176 D180 G181 F182 R184K176-C178 PolarHBondContact O-N 3.02Å; C178-D180 WeakPolarHBondContact CB-OD1 3.4Å; C178-D180 PolarHBondContact O-N 3.32Å; C178-D180 VanDerWaalsContact O-N 3.14Å; C178-G181 PolarHBondContact O-N 3.44Å; C178-F182 WeakPolarHBondContact CB-O 3.4Å; C178-F182 PolarHBondContact N-O 3.26Å; C178-R184 VanDerWaalsContact CB-NH1 3.28Å
179S61.6Low66.4Low131 Ų13190 Ų9092%0.91644%0.443SS*.THydrogen-bonded Turntrans-62.7-18.6-177.549.40000114.4G181S179-G181 VanDerWaalsContact C-N 3.35Å
180D63.5Low66.1Low60 Ų6081.8 Ų81.832%0.32141%0.408SS..THydrogen-bonded Turntrans-89.70.9175.960.9-10.1000113.5C178 F182 R184C178-D180 WeakPolarHBondContact CB-OD1 3.4Å; C178-D180 PolarHBondContact O-N 3.32Å; C178-D180 VanDerWaalsContact O-N 3.14Å; D180-F182 HydrophobicContact CB-CD2 4.35Å; D180-F182 PolarHBondContact OD1-N 3.16Å; D180-R184 IonicContact OD1-CZ 3.8Å; D180-R184 IonicContact OD1-NH1 2.85Å; D180-R184 PolarHBondContact OD1-NH1 2.85Å; D180-R184 IonicContact OD1-NH2 2.66Å; D180-R184 IonicContact OD2-CZ 3.11Å; D180-R184 IonicContact OD2-NH1 2.74Å; D180-R184 PolarHBondContact OD2-NH1 2.99Å; D180-R184 IonicContact OD2-NH2 2.91Å; D180-R184 PolarHBondContact OD2-NH2 3.24Å
181G61.8Low65.6Low26 Ų2683.1 Ų83.127%0.26842%0.423SS..SBendtrans88.68.217600000115.3L177 C178 S179L177-G181 VanDerWaalsContact CD1-C 3.41Å; L177-G181 WeakPolarHBondContact CD1-O 3.32Å; C178-G181 PolarHBondContact O-N 3.44Å; S179-G181 VanDerWaalsContact C-N 3.35Å
182F70.4Confident65Low35 Ų3576.1 Ų76.115%0.15441%0.412CS..  trans-102.7141.2176.5-64.4-78000112.7D140 C178 D180D140-F182 HydrophobicContact CB-CB 3.75Å; D140-F182 HydrophobicContact CB-CD1 4.13Å; D140-F182 HydrophobicContact CB-CG 4.04Å; C178-F182 WeakPolarHBondContact CB-O 3.4Å; C178-F182 PolarHBondContact N-O 3.26Å; D180-F182 HydrophobicContact CB-CD2 4.35Å; D180-F182 PolarHBondContact OD1-N 3.16Å
183Y73.4Confident63.9Low70 Ų7071.5 Ų71.528%0.27540%0.403SS..EExtended strand (participates in β ladder)trans-80.7116170.9-74.8-87.5000110.1L138 Y139 D140 K176 L177L138-Y183 HydrophobicContact CB-CD2 3.91Å; L138-Y183 HydrophobicContact CB-CE2 4.42Å; L138-Y183 HydrophobicContact CD1-CE2 4.33Å; L138-Y183 PolarHBondContact O-N 3.18Å; Y139-Y183 WeakPolarHBondContact CA-O 3.43Å; Y139-Y183 HydrophobicContact CD1-CG 4.37Å; Y139-Y183 HydrophobicContact CE1-CG 4.09Å; D140-Y183 PolarHBondContact N-O 3.38Å; K176-Y183 WeakPolarHBondContact O-CA 3.32Å; L177-Y183 HydrophobicContact CB-CD1 4.23Å; L177-Y183 HydrophobicContact CB-CE1 3.91Å; L177-Y183 HydrophobicContact CD1-CD2 4Å; L177-Y183 HydrophobicContact CD1-CE2 3.83Å; L177-Y183 HydrophobicContact CD1-CG 4.42Å
184R81.7Confident62.4Low48 Ų4880.3 Ų80.318%0.18144%0.439CS..EExtended strand (participates in β ladder)trans-118.6156.2176.9-63.2-172.9177.995.91111.8D140 Y175 K176 C178 D180 V186D140-R184 HydrophobicContact CB-CG 4.26Å; D140-R184 IonicContact OD2-CZ 3.27Å; D140-R184 VanDerWaalsContact OD2-CZ 3.27Å; D140-R184 IonicContact OD2-NE 2.8Å; D140-R184 PolarHBondContact OD2-NE 3.23Å; D140-R184 IonicContact OD2-NH2 2.74Å; D140-R184 PolarHBondContact OD2-NH2 2.89Å; Y175-R184 WeakPolarHBondContact CA-O 3.49Å; K176-R184 PolarHBondContact N-O 2.89Å; K176-R184 PolarHBondContact O-N 3.38Å; C178-R184 VanDerWaalsContact CB-NH1 3.28Å; D180-R184 IonicContact OD1-CZ 3.8Å; D180-R184 IonicContact OD1-NH1 2.85Å; D180-R184 PolarHBondContact OD1-NH1 2.85Å; D180-R184 IonicContact OD1-NH2 2.66Å; D180-R184 IonicContact OD2-CZ 3.11Å; D180-R184 IonicContact OD2-NH1 2.74Å; D180-R184 PolarHBondContact OD2-NH1 2.99Å; D180-R184 IonicContact OD2-NH2 2.91Å; D180-R184 PolarHBondContact OD2-NH2 3.24Å; R184-V186 PolarHBondContact O-N 2.92Å
185L77Confident60.6Low18 Ų1877.8 Ų77.89%0.09444%0.436CS..EExtended strand (participates in β ladder)trans-63.4131.9176.4-179.266.4000110.3L158 M164 V173 Y175 G187 M190L158-L185 HydrophobicContact CD1-CB 4.05Å; L158-L185 HydrophobicContact CD1-CD2 3.85Å; L158-L185 HydrophobicContact CD1-CG 4.49Å; M164-L185 HydrophobicContact SD-CD2 4.44Å; V173-L185 HydrophobicContact CG1-CD1 3.14Å; Y175-L185 HydrophobicContact CE1-CB 4.29Å; Y175-L185 HydrophobicContact CE1-CD1 4.3Å; L185-G187 PolarHBondContact O-N 2.74Å; L185-M190 HydrophobicContact CD2-CB 4.4Å; L185-M190 HydrophobicContact CD2-CG 4.13Å; L185-M190 HydrophobicContact CD2-SD 3.52Å; L185-M190 VanDerWaalsContact CD2-SD 3.52Å
186V74.8Confident58.4Low51 Ų5181.6 Ų81.631%0.30946%0.464SS..  trans-73.5111.5172.3-176.90000108.9R174 K176 R184 S188R174-V186 PolarHBondContact O-N 2.93Å; K176-V186 HydrophobicContact CB-CG2 3.61Å; R184-V186 PolarHBondContact O-N 2.92Å; V186-S188 PolarHBondContact O-N 2.93Å
187G59.2Low56.2Low63 Ų6381.4 Ų81.465%0.64948%0.475SS*.G310 helixtrans-59.4-11.9-165.300000117.7L185 R189L185-G187 PolarHBondContact O-N 2.74Å; G187-R189 PolarHBondContact O-N 2.94Å
188S48.2Very low54.6Low102 Ų10283 Ų8371%0.71349%0.488SS*.G310 helixtrans-78.415.4-175.343.80000115.4V186V186-S188 PolarHBondContact O-N 2.93Å
189R52.4Low53.2Low84 Ų8483.8 Ų83.832%0.31749%0.494SS..G310 helixtrans-138.5-2.3-164.9-67.4177170.6-147.80117.7S167 L170 G187S167-R189 WeakPolarHBondContact CB-O 3.39Å; L170-R189 HydrophobicContact CD1-CB 4.04Å; L170-R189 VanDerWaalsContact CD1-CD 3.43Å; L170-R189 HydrophobicContact CD1-CG 3.52Å; G187-R189 PolarHBondContact O-N 2.94Å
190M47.9Very low52.5Low24 Ų2482.3 Ų82.312%0.11848%0.48CS..EExtended strand (participates in β ladder)trans-133.5125.3174.4-65.9-178.978.900109.7Q159 M164 A165 R166 L185Q159-M190 HydrophobicContact CG-CE 4.16Å; M164-M190 HydrophobicContact CB-CB 4.12Å; M164-M190 HydrophobicContact CB-CE 3.56Å; M164-M190 HydrophobicContact CB-SD 4.23Å; M164-M190 WeakPolarHBondContact O-CE 3.39Å; A165-M190 WeakPolarHBondContact O-CB 3.28Å; A165-M190 WeakPolarHBondContact O-CE 3.39Å; A165-M190 WeakPolarHBondContact O-CG 3.37Å; R166-M190 HydrophobicContact CG-CE 4.32Å; L185-M190 HydrophobicContact CD2-CB 4.4Å; L185-M190 HydrophobicContact CD2-CG 4.13Å; L185-M190 HydrophobicContact CD2-SD 3.52Å; L185-M190 VanDerWaalsContact CD2-SD 3.52Å
191S43.8Very low51.7Low94 Ų9485.2 Ų85.266%0.65749%0.491SS*.EExtended strand (participates in β ladder)trans-90.2133.3178.8-56.40000109.1L193S191-L193 PolarHBondContact O-N 3.36Å
192S43Very low50.9Low107 Ų10788.3 Ų88.375%0.74850%0.498SS*.EExtended strand (participates in β ladder)trans-63.8113.5174.7-25.30000109.1
193L39.6Very low49.6Very low109 Ų10990.8 Ų90.857%0.57151%0.512SS*.  trans-78.2133.8164.4-72.6164.3000107.5A165 S191 M195A165-L193 HydrophobicContact CB-CD1 3.61Å; A165-L193 HydrophobicContact CB-CG 4.43Å; S191-L193 PolarHBondContact O-N 3.36Å; L193-M195 PolarHBondContact O-N 3.39Å
194K37.5Very low48Very low213 Ų21393.3 Ų93.393%0.92653%0.527SS*.  trans-54.1111177.7-75.3-179.3175.8-179.20108.8
195M36.4Very low46.2Very low116 Ų11697.9 Ų97.957%0.57154%0.544SS*.PPolyproline II helixtrans-75.1128.4-177.4-68.1-99.37200110.2H162 G163 L193H162-M195 VanDerWaalsContact C-SD 3.54Å; G163-M195 VanDerWaalsContact CA-CE 3.48Å; L193-M195 PolarHBondContact O-N 3.39Å
196T33.7Very low44.7Very low127 Ų127102.5 Ų102.578%0.77957%0.565SS**PPolyproline II helixtrans-85.1127.815641.30000108
197T31.7Very low43.1Very low135 Ų135105.3 Ų105.383%0.82858%0.577SS**PPolyproline II helixtrans-51.3127.6176.137.70000111
198P37.6Very low42.3Very low87 Ų87105.4 Ų105.457%0.56557%0.572SS**PPolyproline II helixtrans-67.1140.5179.625.3-31.1000111H202P198-H202 HydrophobicContact CB-CB 4.5Å
199S43.3Very low42.1Very low60 Ų60107.1 Ų107.142%0.4257%0.573SS.*PPolyproline II helixtrans-67.5152.4178.779.80000111.2E201 H202 I203S199-E201 WeakPolarHBondContact CB-OE2 3.32Å; S199-E201 PolarHBondContact O-N 3.03Å; S199-E201 VanDerWaalsContact O-N 3.15Å; S199-E201 PolarHBondContact OG-OE2 3.33Å; S199-H202 VanDerWaalsContact O-CB 3.28Å; S199-H202 WeakPolarHBondContact O-CB 3.33Å; S199-H202 PolarHBondContact O-N 2.67Å; S199-I203 PolarHBondContact O-N 2.71Å
200V45.9Very low41.7Very low100 Ų100109.2 Ų109.261%0.60659%0.589SS**Hα-helixtrans-54.1-33.6178.6176.70000111.8H202 I203 Q204V200-H202 VanDerWaalsContact C-N 3.25Å; V200-H202 PolarHBondContact O-N 2.9Å; V200-I203 PolarHBondContact O-N 3.36Å; V200-Q204 HydrophobicContact CG1-CG 4.37Å; V200-Q204 WeakPolarHBondContact O-CG 2.86Å; V200-Q204 PolarHBondContact O-N 3.37Å
201E47.6Very low40.8Very low120 Ų120114.7 Ų114.756%0.56162%0.616SS**Hα-helixtrans-65.3-30.2178-54.4122.3165.100112.2S199 R205S199-E201 WeakPolarHBondContact CB-OE2 3.32Å; S199-E201 PolarHBondContact O-N 3.03Å; S199-E201 VanDerWaalsContact O-N 3.15Å; S199-E201 PolarHBondContact OG-OE2 3.33Å; E201-R205 WeakPolarHBondContact O-CB 3.41Å; E201-R205 PolarHBondContact O-N 3.42Å; E201-R205 VanDerWaalsContact O-N 3.12Å
202H44.4Very low40.3Very low91 Ų91115.9 Ų115.942%0.42162%0.622SS.*Hα-helixtrans-69.1-42.8176.3-158.8110000110.9P198 S199 V200 Q204 R205 E206P198-H202 HydrophobicContact CB-CB 4.5Å; S199-H202 VanDerWaalsContact O-CB 3.28Å; S199-H202 WeakPolarHBondContact O-CB 3.33Å; S199-H202 PolarHBondContact O-N 2.67Å; V200-H202 VanDerWaalsContact C-N 3.25Å; V200-H202 PolarHBondContact O-N 2.9Å; H202-Q204 VanDerWaalsContact C-N 3.35Å; H202-R205 PolarHBondContact O-N 3.47Å; H202-E206 PolarHBondContact O-N 3.38Å
203I41.9Very low39.9Very low88 Ų88117.1 Ų117.145%0.45163%0.625SS.*Hα-helixtrans-63.3-43.4177.3-61.1171.8000110.2S199 V200 R205 E206 I207S199-I203 PolarHBondContact O-N 2.71Å; V200-I203 PolarHBondContact O-N 3.36Å; I203-R205 VanDerWaalsContact C-N 3.31Å; I203-R205 PolarHBondContact O-N 3.3Å; I203-E206 PolarHBondContact O-N 3.07Å; I203-I207 HydrophobicContact CG2-CD1 4.33Å; I203-I207 WeakPolarHBondContact O-CG1 3.48Å; I203-I207 PolarHBondContact O-N 2.87Å
204Q40.9Very low39.5Very low122 Ų122120.2 Ų120.257%0.5764%0.636SS**Hα-helixtrans-63.7-35.9177.7-72.8174.9-22.500112.5V200 H202 I207 A208V200-Q204 HydrophobicContact CG1-CG 4.37Å; V200-Q204 WeakPolarHBondContact O-CG 2.86Å; V200-Q204 PolarHBondContact O-N 3.37Å; H202-Q204 VanDerWaalsContact C-N 3.35Å; Q204-I207 PolarHBondContact O-N 2.9Å; Q204-A208 PolarHBondContact O-N 3.1Å
205R44.7Very low39.1Very low145 Ų145116.5 Ų116.555%0.54763%0.632SS.*Hα-helixtrans-68.2-35.7178.4-140.6179.7-64.4116.7-1112.6E201 H202 I203 N209E201-R205 WeakPolarHBondContact O-CB 3.41Å; E201-R205 PolarHBondContact O-N 3.42Å; E201-R205 VanDerWaalsContact O-N 3.12Å; H202-R205 PolarHBondContact O-N 3.47Å; I203-R205 VanDerWaalsContact C-N 3.31Å; I203-R205 PolarHBondContact O-N 3.3Å; R205-N209 PolarHBondContact O-N 3.48Å; R205-N209 PolarHBondContact O-ND2 3.02Å
206E45.4Very low38.7Very low115 Ų115116.7 Ų116.754%0.53764%0.643SS.*Hα-helixtrans-67.9-39.7175.5-72.2-161.4157.800112.2H202 I203 A208 N209 I210H202-E206 PolarHBondContact O-N 3.38Å; I203-E206 PolarHBondContact O-N 3.07Å; E206-A208 VanDerWaalsContact C-N 3.33Å; E206-A208 PolarHBondContact O-N 3.29Å; E206-N209 PolarHBondContact O-N 3.34Å; E206-I210 WeakPolarHBondContact O-CD1 3.31Å; E206-I210 WeakPolarHBondContact O-CG1 3.1Å
207I40.7Very low38.5Very low109 Ų109119.7 Ų119.756%0.55965%0.648SS**Hα-helixtrans-61.6-41.8176.6-65.3169.1000111I203 Q204 N209 I210I203-I207 HydrophobicContact CG2-CD1 4.33Å; I203-I207 WeakPolarHBondContact O-CG1 3.48Å; I203-I207 PolarHBondContact O-N 2.87Å; Q204-I207 PolarHBondContact O-N 2.9Å; I207-N209 VanDerWaalsContact C-N 3.3Å; I207-N209 PolarHBondContact O-N 3.02Å; I207-I210 PolarHBondContact O-N 3.44Å
208A43Very low38.3Very low66 Ų66117 Ų11755%0.54564%0.64SS.*Hα-helixtrans-65-32.2179.900000113.1Q204 E206 I210Q204-A208 PolarHBondContact O-N 3.1Å; E206-A208 VanDerWaalsContact C-N 3.33Å; E206-A208 PolarHBondContact O-N 3.29Å; A208-I210 VanDerWaalsContact C-N 3.28Å; A208-I210 PolarHBondContact O-N 3.22Å
209N42.3Very low37.9Very low138 Ų138122.8 Ų122.874%0.73866%0.656SS**THydrogen-bonded Turntrans-78.2-9.5179.5-70.1-25.1000113.8R205 E206 I207R205-N209 PolarHBondContact O-N 3.48Å; R205-N209 PolarHBondContact O-ND2 3.02Å; E206-N209 PolarHBondContact O-N 3.34Å; I207-N209 VanDerWaalsContact C-N 3.3Å; I207-N209 PolarHBondContact O-N 3.02Å
210I44.9Very low37.5Very low127 Ų127125.5 Ų125.565%0.65167%0.67SS**THydrogen-bonded Turntrans-91.4-16.8-178.7-66.9166000111.8E206 I207 A208 P212E206-I210 WeakPolarHBondContact O-CD1 3.31Å; E206-I210 WeakPolarHBondContact O-CG1 3.1Å; I207-I210 PolarHBondContact O-N 3.44Å; A208-I210 VanDerWaalsContact C-N 3.28Å; A208-I210 PolarHBondContact O-N 3.22Å; I210-P212 WeakPolarHBondContact O-CD 3.32Å
211M29.5Very low36.8Very low139 Ų139126.1 Ų126.169%0.68568%0.678SS**SBendtrans-87.6110.9177.3-71.1-90.2121.300109.4T213M211-T213 PolarHBondContact O-N 3.07Å
212P33.3Very low36Very low120 Ų120126.8 Ų126.878%0.77969%0.685SS**  trans-65.9110.4174.7-1.817.1000107.5I210I210-P212 WeakPolarHBondContact O-CD 3.32Å
213T33.4Very low35.6Very low132 Ų132130.1 Ų130.181%0.8171%0.706SS**  trans-73.9126165.8-0.30000106.7M211M211-T213 PolarHBondContact O-N 3.07Å
214E31.3Very low35.3Very low174 Ų174134.6 Ų134.681%0.81373%0.725SS**  trans95.3146.1167.6-49-163.8178.200117.9
215V28.8Very low35.6Very low136 Ų136139.1 Ų139.182%0.82476%0.761SS**  trans91.596.7180-1680000112.2
216C28.2Very low35.1Very low119 Ų119138.8 Ų138.880%0.80477%0.771SS**  -149.9117.155.7-88.60000112.6
217Q28.9Very low34.6Very low191 Ų191140.1 Ų140.189%0.89378%0.784SS**  trans-75.5158.2146.8-72.9175-18.600109.4
218A29.3Very low34.2Very low79 Ų79141.8 Ų141.865%0.65380%0.796SS**  trans8187.8164.800000118.2
219F28.7Very low33.7Very low207 Ų207146.2 Ų146.291%0.90881%0.811SS**  trans-13979.2132.4-81.1-78.9000107.6C221F219-C221 PolarHBondContact O-N 2.65Å
220T33.8Very low33.2Very low118 Ų118146.8 Ų146.872%0.72482%0.815SS**  trans-79.4105.1162.944.80000106.6D222T220-D222 VanDerWaalsContact C-N 3.34Å; T220-D222 PolarHBondContact O-N 3.28Å; T220-D222 VanDerWaalsContact O-N 3.14Å
221C31.8Very low32.4Very low113 Ų113148.1 Ų148.176%0.76483%0.826SS**  trans-78.190.8170.3-58.10000107.3F219 N223F219-C221 PolarHBondContact O-N 2.65Å; C221-N223 PolarHBondContact O-N 3.23Å
222D30.8Very low32.6Very low133 Ų133148.7 Ų148.771%0.71184%0.836SS**  trans-67.1104.9163.5-65.4-45.3000107.8T220T220-D222 VanDerWaalsContact C-N 3.34Å; T220-D222 PolarHBondContact O-N 3.28Å; T220-D222 VanDerWaalsContact O-N 3.14Å
223N36.6Very low32.6Very low162 Ų162150.9 Ų150.987%0.86684%0.841SS**  trans-112100155.8-90.5-20.9000106.2C221C221-N223 PolarHBondContact O-N 3.23Å
224E35.3Very low32.5Very low182 Ų182152.5 Ų152.585%0.8584%0.843SS**  trans-61.6130.6173.7-63.1178.2124.100110.6
225V46.4Very low32.6Very low216 Ų216150.5 Ų150.5100%1.30985%0.846SS**  trans38.10148.9-166.70000119

Retrieved 225 of 225 residues in 195 ms (Link to these results)

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